N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine

C12H23NOS — CID 81385845

IUPACN-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine
SMILESC[C@H](NC1CCS(=O)CC1)C1CCCC1
InChIInChI=1S/C12H23NOS/c1-10(11-4-2-3-5-11)13-12-6-8-15(14)9-7-12/h10-13H,2-9H2,1H3/t10-,12?,15?/m0/s1
InChIKeyAVYZPMMZKYPOKY-VLRKGOCCSA-N
MW229.39 g/mol
LogP2.07
Rot. Bonds3

About N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine

N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine (PubChem CID 81385845) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine.

Molecular Properties

Compound NameN-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine
PubChem CID81385845
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC NameN-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine
SMILESC[C@H](NC1CCS(=O)CC1)C1CCCC1
InChIInChI=1S/C12H23NOS/c1-10(11-4-2-3-5-11)13-12-6-8-15(14)9-7-12/h10-13H,2-9H2,1H3/t10-,12?,15?/m0/s1
InChIKeyAVYZPMMZKYPOKY-VLRKGOCCSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-cyclopentylethyl]-1-oxothian-4-amine
CID 81394951
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
4-N-[(1R)-1-cyclohexylethyl]cyclohexane-1,4-diamine
CID 81385078
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
N-[(1S)-1-cyclopentylethyl]-1-methylpiperidin-4-amine
CID 81386748
4-(1-cyclopentylethylamino)cyclohexane-1-carboxamide
CID 62631571

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine?
The IUPAC name of N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine (CID 81385845) is N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine.
What is the SMILES notation for N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine?
The canonical SMILES for N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine is C[C@H](NC1CCS(=O)CC1)C1CCCC1.
What is the InChIKey of N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine?
The InChIKey is AVYZPMMZKYPOKY-VLRKGOCCSA-N. The full InChI is InChI=1S/C12H23NOS/c1-10(11-4-2-3-5-11)13-12-6-8-15(14)9-7-12/h10-13H,2-9H2,1H3/t10-,12?,15?/m0/s1.
What are the key properties of N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine?
N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine has a molecular weight of 229.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopentylethyl]-1-oxothian-4-amine is sourced from PubChem (CID 81385845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).