N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

C13H25N5O2S — CID 97467172

IUPACN-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCN(C)CCN1CCc2ncc(CNS(C)(=O)=O)n2CC1
InChIInChI=1S/C13H25N5O2S/c1-16(2)6-7-17-5-4-13-14-10-12(18(13)9-8-17)11-15-21(3,19)20/h10,15H,4-9,11H2,1-3H3
InChIKeyALBGTHVUVOVENS-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.65
Rot. Bonds6

About N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide

N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (PubChem CID 97467172) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
PubChem CID97467172
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC NameN-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide
SMILESCN(C)CCN1CCc2ncc(CNS(C)(=O)=O)n2CC1
InChIInChI=1S/C13H25N5O2S/c1-16(2)6-7-17-5-4-13-14-10-12(18(13)9-8-17)11-15-21(3,19)20/h10,15H,4-9,11H2,1-3H3
InChIKeyALBGTHVUVOVENS-UHFFFAOYSA-N
XLogP-0.65
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide with MolForge

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Related Compounds

N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}propane-1-sulfonamide
CID 91923976
N-[[8-(2-pyrrolidin-1-ylethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-1-yl]methyl]methanesulfonamide
CID 97405494
N-[2-(5-Methyl-1-propyl-1H-imidazol-2-YL)ethyl]propane-1-sulfonamide
CID 91911724
N-({5H,6H,7H,8H-imidazo[1,2-a]pyridin-2-yl}methyl)methanesulfonamide
CID 86811547
1-[(1-cyclohexyl-1H-imidazol-5-yl)methyl]-4-(methylsulfonyl)-1,4-diazepane
CID 91833300
N-{2-[5-Methyl-1-(propan-2-YL)-1H-imidazol-2-YL]ethyl}ethane-1-sulfonamide
CID 124056550
N-[2-(1-Cyclobutyl-5-methyl-1H-imidazol-2-YL)ethyl]propane-2-sulfonamide
CID 124060950
N-[2-(1-Cyclobutyl-5-methyl-1H-imidazol-2-YL)ethyl]ethane-1-sulfonamide
CID 124065287
N-[2-(5-Methyl-1-propyl-1H-imidazol-2-YL)ethyl]ethane-1-sulfonamide
CID 124078812
8-[(2,2,2-trifluoroethyl)sulfonyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56882394
N-[[7-(cyclopropylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155832824
N,N-dimethyl-1-(7-propylsulfonyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methanamine
CID 97390182

Frequently Asked Questions

What is the IUPAC name of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide (CID 97467172) is N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is CN(C)CCN1CCc2ncc(CNS(C)(=O)=O)n2CC1.
What is the InChIKey of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
The InChIKey is ALBGTHVUVOVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-16(2)6-7-17-5-4-13-14-10-12(18(13)9-8-17)11-15-21(3,19)20/h10,15H,4-9,11H2,1-3H3.
What are the key properties of N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide?
N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide has a molecular weight of 315.44 g/mol, XLogP of -0.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[2-(dimethylamino)ethyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 97467172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).