2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide

C16H22N2O2S — CID 143170969

IUPAC2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide
SMILESCCCCCN(C)S(=O)c1ccc2[nH]c(C=O)c(C)c2c1
InChIInChI=1S/C16H22N2O2S/c1-4-5-6-9-18(3)21(20)13-7-8-15-14(10-13)12(2)16(11-19)17-15/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyVBDSPXJAIWQPST-UHFFFAOYSA-N
MW306.43 g/mol
LogP3.43
Rot. Bonds7

About 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide

2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide (PubChem CID 143170969) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide.

Molecular Properties

Compound Name2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide
PubChem CID143170969
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide
SMILESCCCCCN(C)S(=O)c1ccc2[nH]c(C=O)c(C)c2c1
InChIInChI=1S/C16H22N2O2S/c1-4-5-6-9-18(3)21(20)13-7-8-15-14(10-13)12(2)16(11-19)17-15/h7-8,10-11,17H,4-6,9H2,1-3H3
InChIKeyVBDSPXJAIWQPST-UHFFFAOYSA-N
XLogP3.43
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydroxy-N,N-dioctylbenzenesulfinamide
CID 155197652
1-methyl-4-[(R)-octylsulfinyl]benzene
CID 135058529
1-[methyl(sulfino)amino]hexadecane
CID 57239401
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856
N-decyl-N-[2-[(3,4-dihydroxyphenyl)sulfanyl-methylamino]ethyl]-3,4-dihydroxybenzenesulfinamide
CID 155197613
5-(didodecylamino)-1,3-dihydrobenzimidazol-2-one
CID 52913034
5-[(5-formyl-3-hexyl-4-methyl-1H-pyrrol-2-yl)methyl]-4-hexyl-3-methyl-1H-pyrrole-2-carbaldehyde
CID 14159660
N-butyl-N-ethyl-2,3-dimethyl-1H-indole-5-carboxamide
CID 18164314
6-amino-4-methyl-3-propyl-1H-quinolin-2-one
CID 118872268
4-[methyl(pentyl)amino]benzaldehyde
CID 43295080
octadecylsulfinylbenzene
CID 10937741
N-butyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113205023

Frequently Asked Questions

What is the IUPAC name of 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide?
The IUPAC name of 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide (CID 143170969) is 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide.
What is the SMILES notation for 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide?
The canonical SMILES for 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide is CCCCCN(C)S(=O)c1ccc2[nH]c(C=O)c(C)c2c1.
What is the InChIKey of 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide?
The InChIKey is VBDSPXJAIWQPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-4-5-6-9-18(3)21(20)13-7-8-15-14(10-13)12(2)16(11-19)17-15/h7-8,10-11,17H,4-6,9H2,1-3H3.
What are the key properties of 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide?
2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide has a molecular weight of 306.43 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N,3-dimethyl-N-pentyl-1H-indole-5-sulfinamide is sourced from PubChem (CID 143170969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).