(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine

C10H18N4O2S — CID 95715901

IUPAC(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](N)CC2)c1
InChIInChI=1S/C10H18N4O2S/c1-13-7-10(12-8-13)17(15,16)14-5-2-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3/t9-/m0/s1
InChIKeyKMODRULKEXDXMI-VIFPVBQESA-N
MW258.35 g/mol
LogP-0.08
Rot. Bonds2

About (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine

(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine (PubChem CID 95715901) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine.

Molecular Properties

Compound Name(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
PubChem CID95715901
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@H](N)CC2)c1
InChIInChI=1S/C10H18N4O2S/c1-13-7-10(12-8-13)17(15,16)14-5-2-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3/t9-/m0/s1
InChIKeyKMODRULKEXDXMI-VIFPVBQESA-N
XLogP-0.08
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
N-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-amine;hydrochloride
CID 120714982
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050
2-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 71861370
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
CID 154002650
1-(1-methylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 71997276
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
2-methyl-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]propan-1-amine
CID 63879798

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine?
The IUPAC name of (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine (CID 95715901) is (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine.
What is the SMILES notation for (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine?
The canonical SMILES for (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine is Cn1cnc(S(=O)(=O)N2CCC[C@H](N)CC2)c1.
What is the InChIKey of (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine?
The InChIKey is KMODRULKEXDXMI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-13-7-10(12-8-13)17(15,16)14-5-2-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine?
(4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine has a molecular weight of 258.35 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(1-methylimidazol-4-yl)sulfonylazepan-4-amine is sourced from PubChem (CID 95715901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).