N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide

C19H21N3OS — CID 158196704

IUPACN-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(N)=S
InChIInChI=1S/C19H21N3OS/c1-3-11(2)17(18(20)24)22-19(23)12-8-9-16-14(10-12)13-6-4-5-7-15(13)21-16/h4-11,17,21H,3H2,1-2H3,(H2,20,24)(H,22,23)/t11-,17-/m0/s1
InChIKeyGAKQLJACEXDONE-GTNSWQLSSA-N
MW339.46 g/mol
LogP3.75
Rot. Bonds5

About N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide

N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide (PubChem CID 158196704) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
PubChem CID158196704
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC NameN-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
SMILESCC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(N)=S
InChIInChI=1S/C19H21N3OS/c1-3-11(2)17(18(20)24)22-19(23)12-8-9-16-14(10-12)13-6-4-5-7-15(13)21-16/h4-11,17,21H,3H2,1-2H3,(H2,20,24)(H,22,23)/t11-,17-/m0/s1
InChIKeyGAKQLJACEXDONE-GTNSWQLSSA-N
XLogP3.75
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-9H-carbazole-3-carboxamide
CID 67461997
N-[(3S)-3-methyl-1-(oxan-4-ylmethylamino)-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide
CID 87200615
N-[(2S)-3-methyl-1-oxo-1-[4-(tetrazol-1-yl)butylamino]pentan-2-yl]-9H-carbazole-3-carboxamide
CID 154170540
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824
methyl 3-(9H-carbazol-3-yl)-3-oxopropanoate
CID 82667262
methyl (2R,3S)-3-methyl-2-(naphthalene-2-carbonylamino)pentanoate
CID 9245605
N-(1-amino-3-methyl-1-oxopentan-2-yl)-4-iodobenzamide
CID 78773250
methyl (2R,3R)-2-(1H-indole-6-carbonylamino)-3-methylpentanoate
CID 95357359
(2S,3S)-2-[(3-bromo-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194043
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
N-(1-amino-3-methyl-1-oxopentan-2-yl)-3-phenoxybenzamide
CID 78773277

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide?
The IUPAC name of N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide (CID 158196704) is N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide.
What is the SMILES notation for N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide?
The canonical SMILES for N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide is CC[C@H](C)[C@H](NC(=O)c1ccc2[nH]c3ccccc3c2c1)C(N)=S.
What is the InChIKey of N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide?
The InChIKey is GAKQLJACEXDONE-GTNSWQLSSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-11(2)17(18(20)24)22-19(23)12-8-9-16-14(10-12)13-6-4-5-7-15(13)21-16/h4-11,17,21H,3H2,1-2H3,(H2,20,24)(H,22,23)/t11-,17-/m0/s1.
What are the key properties of N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide?
N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-9H-carbazole-3-carboxamide is sourced from PubChem (CID 158196704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).