3-[(2-methylthiolan-3-yl)amino]pentan-1-ol

C10H21NOS — CID 102672340

IUPAC3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCSC1C
InChIInChI=1S/C10H21NOS/c1-3-9(4-6-12)11-10-5-7-13-8(10)2/h8-12H,3-7H2,1-2H3
InChIKeyDUMFZQWKLQCERA-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.63
Rot. Bonds5

About 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol

3-[(2-methylthiolan-3-yl)amino]pentan-1-ol (PubChem CID 102672340) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
PubChem CID102672340
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
SMILESCCC(CCO)NC1CCSC1C
InChIInChI=1S/C10H21NOS/c1-3-9(4-6-12)11-10-5-7-13-8(10)2/h8-12H,3-7H2,1-2H3
InChIKeyDUMFZQWKLQCERA-UHFFFAOYSA-N
XLogP1.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylthiolan-3-yl)amino]pentanenitrile
CID 102673060
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727
N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine
CID 102672154
2-methyl-N-pentan-2-ylthiolan-3-amine
CID 102671361
3-(cyclopropylamino)pentan-1-ol
CID 83815190
2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
CID 103267745
3-[(5-methyl-2-propan-2-ylcyclohexyl)amino]pentan-1-ol
CID 115723128
3-[(2,4,4-trimethylcyclohexyl)amino]pentan-1-ol
CID 115723127
4-methyl-2-[(2-methylthian-3-yl)amino]pentan-1-ol
CID 79957763
2-methyl-N-pent-1-yn-3-ylthian-3-amine
CID 106224949
2-[(2-methylthian-3-yl)amino]propan-1-ol
CID 79957366
N-(3-ethylpentan-2-yl)-2-methylthian-3-amine
CID 79957150

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol?
The IUPAC name of 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol (CID 102672340) is 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol.
What is the SMILES notation for 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol?
The canonical SMILES for 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol is CCC(CCO)NC1CCSC1C.
What is the InChIKey of 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol?
The InChIKey is DUMFZQWKLQCERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-3-9(4-6-12)11-10-5-7-13-8(10)2/h8-12H,3-7H2,1-2H3.
What are the key properties of 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol?
3-[(2-methylthiolan-3-yl)amino]pentan-1-ol has a molecular weight of 203.35 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylthiolan-3-yl)amino]pentan-1-ol is sourced from PubChem (CID 102672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).