N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine

C14H26N4O2S — CID 63879468

IUPACN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
SMILESCc1nc(S(=O)(=O)N2CCCCC2CNC(C)C)cn1C
InChIInChI=1S/C14H26N4O2S/c1-11(2)15-9-13-7-5-6-8-18(13)21(19,20)14-10-17(4)12(3)16-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyRENHSWCVBZEITI-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.27
Rot. Bonds5

About N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine

N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine (PubChem CID 63879468) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
PubChem CID63879468
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
SMILESCc1nc(S(=O)(=O)N2CCCCC2CNC(C)C)cn1C
InChIInChI=1S/C14H26N4O2S/c1-11(2)15-9-13-7-5-6-8-18(13)21(19,20)14-10-17(4)12(3)16-14/h10-11,13,15H,5-9H2,1-4H3
InChIKeyRENHSWCVBZEITI-UHFFFAOYSA-N
XLogP1.27
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603
N-[[1-(3-methylphenyl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63880338
6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923483
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 115316553
N-[[1-(5-bromothiophen-2-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63879127
3-[(2R)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine
CID 6927843
N-(4-methylsulfanylbutan-2-yl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106080313
N-(cyclopentylmethyl)-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106027123
N-piperidin-1-yl-2-[(propan-2-ylamino)methyl]piperidine-1-sulfonamide
CID 106075381
4-(1-bromoethyl)-1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidine
CID 106839595
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680710
2-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 62065329

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine (CID 63879468) is N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine is Cc1nc(S(=O)(=O)N2CCCCC2CNC(C)C)cn1C.
What is the InChIKey of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
The InChIKey is RENHSWCVBZEITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-11(2)15-9-13-7-5-6-8-18(13)21(19,20)14-10-17(4)12(3)16-14/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine?
N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine has a molecular weight of 314.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63879468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).