[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine

C14H19NS — CID 66110003

IUPAC[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine
SMILESCc1cccc(SC2(CN)CC3(CC3)C2)c1
InChIInChI=1S/C14H19NS/c1-11-3-2-4-12(7-11)16-14(10-15)8-13(9-14)5-6-13/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyIMTNVBFWROEWRC-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.36
Rot. Bonds3

About [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine

[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine (PubChem CID 66110003) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine.

Molecular Properties

Compound Name[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine
PubChem CID66110003
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC Name[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine
SMILESCc1cccc(SC2(CN)CC3(CC3)C2)c1
InChIInChI=1S/C14H19NS/c1-11-3-2-4-12(7-11)16-14(10-15)8-13(9-14)5-6-13/h2-4,7H,5-6,8-10,15H2,1H3
InChIKeyIMTNVBFWROEWRC-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methylphenyl)sulfanylspiro[3.4]octan-2-yl]methanamine
CID 66112356
[1-(3-fluorophenyl)sulfanylcyclopropyl]methanamine
CID 66071413
[1-(3-bromophenyl)sulfanyl-3,3-diethylcyclobutyl]methanamine
CID 66142568
2-(3-methylphenyl)sulfanylspiro[3.5]nonane-2-carboxylic acid
CID 66112160
[2-(4-chlorophenyl)sulfanylspiro[3.3]heptan-2-yl]methanamine
CID 66142585
[1-(3-fluorophenyl)sulfanyl-4-methylcyclohexyl]methanamine
CID 66071209
4-(3-methylphenyl)sulfanylpiperidine-4-carbonitrile
CID 66110583
1-(3-methylphenyl)sulfanyl-3,3-dipropylcyclobutane-1-carbonitrile
CID 66109812
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
methyl 1-(3-methylphenyl)sulfanylcyclopropane-1-carboxylate
CID 117035109
[2-(2-fluorophenyl)sulfanylspiro[3.6]decan-2-yl]methanamine
CID 66096585

Frequently Asked Questions

What is the IUPAC name of [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine?
The IUPAC name of [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine (CID 66110003) is [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine.
What is the SMILES notation for [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine?
The canonical SMILES for [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine is Cc1cccc(SC2(CN)CC3(CC3)C2)c1.
What is the InChIKey of [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine?
The InChIKey is IMTNVBFWROEWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-11-3-2-4-12(7-11)16-14(10-15)8-13(9-14)5-6-13/h2-4,7H,5-6,8-10,15H2,1H3.
What are the key properties of [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine?
[5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine has a molecular weight of 233.38 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-methylphenyl)sulfanylspiro[2.3]hexan-5-yl]methanamine is sourced from PubChem (CID 66110003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).