4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide

C18H24N4O3S — CID 121294198

IUPAC4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C18H24N4O3S/c1-4-26(24,25)21-13-6-5-9-22(10-13)15-8-7-14(18(19)23)17-16(15)11(2)12(3)20-17/h4,7-8,13,20-21H,1,5-6,9-10H2,2-3H3,(H2,19,23)/t13-/m0/s1
InChIKeyQFVONLVPWAQSQW-ZDUSSCGKSA-N
MW376.48 g/mol
LogP1.92
Rot. Bonds5

About 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide

4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide (PubChem CID 121294198) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
PubChem CID121294198
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide
SMILESC=CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
InChIInChI=1S/C18H24N4O3S/c1-4-26(24,25)21-13-6-5-9-22(10-13)15-8-7-14(18(19)23)17-16(15)11(2)12(3)20-17/h4,7-8,13,20-21H,1,5-6,9-10H2,2-3H3,(H2,19,23)/t13-/m0/s1
InChIKeyQFVONLVPWAQSQW-ZDUSSCGKSA-N
XLogP1.92
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
The IUPAC name of 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide (CID 121294198) is 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
The canonical SMILES for 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide is C=CS(=O)(=O)N[C@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1.
What is the InChIKey of 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
The InChIKey is QFVONLVPWAQSQW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-4-26(24,25)21-13-6-5-9-22(10-13)15-8-7-14(18(19)23)17-16(15)11(2)12(3)20-17/h4,7-8,13,20-21H,1,5-6,9-10H2,2-3H3,(H2,19,23)/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide?
4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(ethenylsulfonylamino)piperidin-1-yl]-2,3-dimethyl-1H-indole-7-carboxamide is sourced from PubChem (CID 121294198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).