(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine

C12H23NOS — CID 126454601

IUPAC(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
SMILESCOCC1(CN[C@H]2CCSC2)CCCC1
InChIInChI=1S/C12H23NOS/c1-14-10-12(5-2-3-6-12)9-13-11-4-7-15-8-11/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyGICQTPALDCTLPL-NSHDSACASA-N
MW229.39 g/mol
LogP2.29
Rot. Bonds5

About (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine

(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine (PubChem CID 126454601) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine.

Molecular Properties

Compound Name(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
PubChem CID126454601
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine
SMILESCOCC1(CN[C@H]2CCSC2)CCCC1
InChIInChI=1S/C12H23NOS/c1-14-10-12(5-2-3-6-12)9-13-11-4-7-15-8-11/h11,13H,2-10H2,1H3/t11-/m0/s1
InChIKeyGICQTPALDCTLPL-NSHDSACASA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(thiolan-3-ylamino)methyl]cyclohexyl]ethanol
CID 115727241
N-[(1-ethylcyclopentyl)methyl]thian-3-amine
CID 115882236
[1-[(thian-3-ylamino)methyl]cyclohexyl]methanol
CID 103966001
N-[[1-(2-methylpropyl)cyclobutyl]methyl]thian-3-amine
CID 115882230
N-[[1-(methoxymethyl)cyclohexyl]methyl]propan-2-amine
CID 103984492
N-[[1-[(cyclopropylamino)methyl]cyclohexyl]methyl]-N-methylthiolan-3-amine
CID 55051725
1-benzyl-N-[[1-(methoxymethyl)cyclopentyl]methyl]piperidin-4-amine
CID 122566362
3-[(thiolan-3-ylamino)methyl]piperidin-3-ol
CID 105470495
N-(2,2-dimethoxyethyl)thiolan-3-amine
CID 60663265
N-[[1-(cyclopropylmethoxymethyl)cyclopentyl]methyl]cyclopropanamine
CID 106930741
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
(3S)-N-[(3,4-dimethoxyphenyl)methyl]thiolan-3-amine
CID 28646937

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine?
The IUPAC name of (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine (CID 126454601) is (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine.
What is the SMILES notation for (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine?
The canonical SMILES for (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine is COCC1(CN[C@H]2CCSC2)CCCC1.
What is the InChIKey of (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine?
The InChIKey is GICQTPALDCTLPL-NSHDSACASA-N. The full InChI is InChI=1S/C12H23NOS/c1-14-10-12(5-2-3-6-12)9-13-11-4-7-15-8-11/h11,13H,2-10H2,1H3/t11-/m0/s1.
What are the key properties of (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine?
(3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine has a molecular weight of 229.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-(methoxymethyl)cyclopentyl]methyl]thiolan-3-amine is sourced from PubChem (CID 126454601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).