[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine

C10H18N4O2S — CID 62374632

IUPAC[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCn1cnc(S(=O)(=O)N2CCCC(CN)C2)c1
InChIInChI=1S/C10H18N4O2S/c1-13-7-10(12-8-13)17(15,16)14-4-2-3-9(5-11)6-14/h7-9H,2-6,11H2,1H3
InChIKeyDRBDKSSDOWMSON-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.22
Rot. Bonds3

About [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine

[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 62374632) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
PubChem CID62374632
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
SMILESCn1cnc(S(=O)(=O)N2CCCC(CN)C2)c1
InChIInChI=1S/C10H18N4O2S/c1-13-7-10(12-8-13)17(15,16)14-4-2-3-9(5-11)6-14/h7-9H,2-6,11H2,1H3
InChIKeyDRBDKSSDOWMSON-UHFFFAOYSA-N
XLogP-0.22
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
CID 95715901
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 20958646
1-(1-methylimidazol-4-yl)sulfonyl-3-[(5-methyl-1-propylimidazol-2-yl)methyl]piperidine
CID 91911692
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411

Frequently Asked Questions

What is the IUPAC name of [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine (CID 62374632) is [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine is Cn1cnc(S(=O)(=O)N2CCCC(CN)C2)c1.
What is the InChIKey of [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is DRBDKSSDOWMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-7-10(12-8-13)17(15,16)14-4-2-3-9(5-11)6-14/h7-9H,2-6,11H2,1H3.
What are the key properties of [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine?
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 258.35 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 62374632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).