4-(thiolan-3-ylamino)pentan-1-ol

C9H19NOS — CID 75356498

IUPAC4-(thiolan-3-ylamino)pentan-1-ol
SMILESCC(CCCO)NC1CCSC1
InChIInChI=1S/C9H19NOS/c1-8(3-2-5-11)10-9-4-6-12-7-9/h8-11H,2-7H2,1H3
InChIKeyZAWLCMTZRPQIBZ-UHFFFAOYSA-N
MW189.32 g/mol
LogP1.24
Rot. Bonds5

About 4-(thiolan-3-ylamino)pentan-1-ol

4-(thiolan-3-ylamino)pentan-1-ol (PubChem CID 75356498) has the molecular formula C9H19NOS and a molecular weight of 189.32 g/mol. Its IUPAC name is 4-(thiolan-3-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-(thiolan-3-ylamino)pentan-1-ol
PubChem CID75356498
Molecular FormulaC9H19NOS
Molecular Weight189.32 g/mol
Exact Mass189.12
IUPAC Name4-(thiolan-3-ylamino)pentan-1-ol
SMILESCC(CCCO)NC1CCSC1
InChIInChI=1S/C9H19NOS/c1-8(3-2-5-11)10-9-4-6-12-7-9/h8-11H,2-7H2,1H3
InChIKeyZAWLCMTZRPQIBZ-UHFFFAOYSA-N
XLogP1.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
4-(thiolan-3-ylamino)pentanoic acid
CID 103062625
(4R)-4-(cyclopentylamino)pentan-1-ol
CID 97051526
4-(cyclopentylamino)pentan-1-ol
CID 75356492
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
(4R)-4-[(4-ethylcyclohexyl)amino]pentan-1-ol
CID 97051577
(4R)-4-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]pentan-1-ol
CID 124678440
N'-hydroxy-3-(thiolan-3-ylamino)butanimidamide
CID 103063282
N-pentan-2-ylthian-4-amine
CID 43394859
(2S)-2-[[(3R)-thiolan-3-yl]amino]butan-1-ol
CID 28723252
N-(1,1,1-trifluoropropan-2-yl)thiolan-3-amine
CID 130708891
N-(6-methylhept-5-en-2-yl)thian-3-amine
CID 115726564

Frequently Asked Questions

What is the IUPAC name of 4-(thiolan-3-ylamino)pentan-1-ol?
The IUPAC name of 4-(thiolan-3-ylamino)pentan-1-ol (CID 75356498) is 4-(thiolan-3-ylamino)pentan-1-ol.
What is the SMILES notation for 4-(thiolan-3-ylamino)pentan-1-ol?
The canonical SMILES for 4-(thiolan-3-ylamino)pentan-1-ol is CC(CCCO)NC1CCSC1.
What is the InChIKey of 4-(thiolan-3-ylamino)pentan-1-ol?
The InChIKey is ZAWLCMTZRPQIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NOS/c1-8(3-2-5-11)10-9-4-6-12-7-9/h8-11H,2-7H2,1H3.
What are the key properties of 4-(thiolan-3-ylamino)pentan-1-ol?
4-(thiolan-3-ylamino)pentan-1-ol has a molecular weight of 189.32 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiolan-3-ylamino)pentan-1-ol is sourced from PubChem (CID 75356498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).