4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide

C12H28N4O2S — CID 61455645

IUPAC4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCCN(CCCN)CC1
InChIInChI=1S/C12H28N4O2S/c1-12(2)14(3)19(17,18)16-9-5-8-15(10-11-16)7-4-6-13/h12H,4-11,13H2,1-3H3
InChIKeyBOYHSLXOONBTOR-UHFFFAOYSA-N
MW292.45 g/mol
LogP-0.07
Rot. Bonds6

About 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide

4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide (PubChem CID 61455645) has the molecular formula C12H28N4O2S and a molecular weight of 292.45 g/mol. Its IUPAC name is 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide.

Molecular Properties

Compound Name4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
PubChem CID61455645
Molecular FormulaC12H28N4O2S
Molecular Weight292.45 g/mol
Exact Mass292.19
IUPAC Name4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide
SMILESCC(C)N(C)S(=O)(=O)N1CCCN(CCCN)CC1
InChIInChI=1S/C12H28N4O2S/c1-12(2)14(3)19(17,18)16-9-5-8-15(10-11-16)7-4-6-13/h12H,4-11,13H2,1-3H3
InChIKeyBOYHSLXOONBTOR-UHFFFAOYSA-N
XLogP-0.07
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-methylbutylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63832630
3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoic acid
CID 61455914
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
methyl 3-[4-[methyl(propan-2-yl)sulfamoyl]piperazin-1-yl]propanoate
CID 78971806
4-(3-aminopropyl)-N-cyclopropyl-1,4-diazepane-1-sulfonamide
CID 114803506
methyl N-[[4-(3-aminopropyl)-1,4-diazepan-1-yl]sulfonyl]carbamate
CID 114461182
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
N-(3-aminopropyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 43136959
3-[4-(2-propylsulfonylethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 106722626
4-(1-amino-2-methylpropan-2-yl)-N-methyl-N-propan-2-ylpiperazine-1-sulfonamide
CID 63341236
3-[4-(2-propan-2-yloxyethylsulfonyl)piperazin-1-yl]propan-1-amine
CID 79594001
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
The IUPAC name of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide (CID 61455645) is 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide.
What is the SMILES notation for 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
The canonical SMILES for 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide is CC(C)N(C)S(=O)(=O)N1CCCN(CCCN)CC1.
What is the InChIKey of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
The InChIKey is BOYHSLXOONBTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N4O2S/c1-12(2)14(3)19(17,18)16-9-5-8-15(10-11-16)7-4-6-13/h12H,4-11,13H2,1-3H3.
What are the key properties of 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide?
4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide has a molecular weight of 292.45 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-N-methyl-N-propan-2-yl-1,4-diazepane-1-sulfonamide is sourced from PubChem (CID 61455645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).