(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

C15H20N2S — CID 129396498

IUPAC(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCSc1cccc2c3c([nH]c12)CC[C@@H](N(C)C)C3
InChIInChI=1S/C15H20N2S/c1-17(2)10-7-8-13-12(9-10)11-5-4-6-14(18-3)15(11)16-13/h4-6,10,16H,7-9H2,1-3H3/t10-/m1/s1
InChIKeyFYHTZOKZGTVVRI-SNVBAGLBSA-N
MW260.41 g/mol
LogP3.31
Rot. Bonds2

About (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine

(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (PubChem CID 129396498) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
PubChem CID129396498
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC Name(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
SMILESCSc1cccc2c3c([nH]c12)CC[C@@H](N(C)C)C3
InChIInChI=1S/C15H20N2S/c1-17(2)10-7-8-13-12(9-10)11-5-4-6-14(18-3)15(11)16-13/h4-6,10,16H,7-9H2,1-3H3/t10-/m1/s1
InChIKeyFYHTZOKZGTVVRI-SNVBAGLBSA-N
XLogP3.31
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(dimethylamino)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 23470505
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129404110
[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-1-yl]methyl benzoate
CID 23470321
N,N-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470284
(3S)-N,N-di(propan-2-yl)-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 73057285
5-methoxy-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891872
N,N-dimethyl-6,7,8,9-tetrahydro-5H-pyrido[3,2-b]indol-8-amine
CID 91536918
8-bromo-5-chloro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 12891794
6-fluoro-N,N,5-trimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine;hydrochloride
CID 23470501
ethyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-2-carboxylate
CID 12891788
(2-chloro-4-methoxyphenyl)methyl 6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxylate
CID 23470239
7-fluoro-N,N-dimethyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23340474

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The IUPAC name of (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine (CID 129396498) is (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine.
What is the SMILES notation for (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The canonical SMILES for (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is CSc1cccc2c3c([nH]c12)CC[C@@H](N(C)C)C3.
What is the InChIKey of (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
The InChIKey is FYHTZOKZGTVVRI-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N2S/c1-17(2)10-7-8-13-12(9-10)11-5-4-6-14(18-3)15(11)16-13/h4-6,10,16H,7-9H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine?
(3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine has a molecular weight of 260.41 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-8-methylsulfanyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine is sourced from PubChem (CID 129396498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).