N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide

C20H29N3O3S — CID 110286463

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O3S/c1-2-3-13-27(25,26)22-19(20(24)23-11-7-4-8-12-23)14-16-15-21-18-10-6-5-9-17(16)18/h5-6,9-10,15,19,21-22H,2-4,7-8,11-14H2,1H3/t19-/m0/s1
InChIKeyNFADPPSKLXMULB-IBGZPJMESA-N
MW391.54 g/mol
LogP2.81
Rot. Bonds8

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide (PubChem CID 110286463) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide
PubChem CID110286463
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O3S/c1-2-3-13-27(25,26)22-19(20(24)23-11-7-4-8-12-23)14-16-15-21-18-10-6-5-9-17(16)18/h5-6,9-10,15,19,21-22H,2-4,7-8,11-14H2,1H3/t19-/m0/s1
InChIKeyNFADPPSKLXMULB-IBGZPJMESA-N
XLogP2.81
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide with MolForge

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]butane-1-sulfonamide
CID 110286518
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-methoxybenzamide
CID 110286402
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
CID 110286403
(2S)-2-amino-3-(1H-indol-3-yl)-1-piperidin-1-ylpropan-1-one
CID 770507
(2S)-2-amino-1-(azocan-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 119955806
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110286456
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-phenylsulfanylacetamide
CID 42698658
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 110286554

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide (CID 110286463) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide is CCCCS(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide?
The InChIKey is NFADPPSKLXMULB-IBGZPJMESA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-2-3-13-27(25,26)22-19(20(24)23-11-7-4-8-12-23)14-16-15-21-18-10-6-5-9-17(16)18/h5-6,9-10,15,19,21-22H,2-4,7-8,11-14H2,1H3/t19-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide has a molecular weight of 391.54 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]butane-1-sulfonamide is sourced from PubChem (CID 110286463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).