2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol

C9H17NOS — CID 130951867

IUPAC2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1CSC1
InChIInChI=1S/C9H17NOS/c11-9-3-1-2-7(9)4-10-8-5-12-6-8/h7-11H,1-6H2
InChIKeyKZJNUGVLCCAJPM-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.85
Rot. Bonds3

About 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol

2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol (PubChem CID 130951867) has the molecular formula C9H17NOS and a molecular weight of 187.31 g/mol. Its IUPAC name is 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
PubChem CID130951867
Molecular FormulaC9H17NOS
Molecular Weight187.31 g/mol
Exact Mass187.10
IUPAC Name2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CNC1CSC1
InChIInChI=1S/C9H17NOS/c11-9-3-1-2-7(9)4-10-8-5-12-6-8/h7-11H,1-6H2
InChIKeyKZJNUGVLCCAJPM-UHFFFAOYSA-N
XLogP0.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(cyclohexylamino)methyl]cyclopentan-1-ol
CID 15716295
2-[(cycloheptylamino)methyl]cyclohexan-1-ol
CID 64928206
2-[[(4-aminocyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79741802
N-[(2-methylcyclohexyl)methyl]thietan-3-amine
CID 130650863
2-[(azepan-4-ylamino)methyl]cyclopentan-1-ol
CID 103982373
4-[(2-hydroxycyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753604
2-[[(3-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64929988
cis-(1R,2S)-2-[[[(1S,3R)-3-ethylcyclohexyl]amino]methyl]cyclohexan-1-ol
CID 124834672
2-[[(3-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 64926892
2-[[(3-ethoxycyclobutyl)amino]methyl]cyclopentan-1-ol
CID 112553163
2-[[(1-oxothian-4-yl)amino]methyl]cyclohexan-1-ol
CID 64928655
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890

Frequently Asked Questions

What is the IUPAC name of 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol (CID 130951867) is 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol is OC1CCCC1CNC1CSC1.
What is the InChIKey of 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is KZJNUGVLCCAJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NOS/c11-9-3-1-2-7(9)4-10-8-5-12-6-8/h7-11H,1-6H2.
What are the key properties of 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol?
2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 187.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(thietan-3-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 130951867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).