2-methyl-N-pentan-2-ylthiolan-3-amine

C10H21NS — CID 102671361

IUPAC2-methyl-N-pentan-2-ylthiolan-3-amine
SMILESCCCC(C)NC1CCSC1C
InChIInChI=1S/C10H21NS/c1-4-5-8(2)11-10-6-7-12-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyMZGUEPGOKSGVDW-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-N-pentan-2-ylthiolan-3-amine

2-methyl-N-pentan-2-ylthiolan-3-amine (PubChem CID 102671361) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-N-pentan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-pentan-2-ylthiolan-3-amine
PubChem CID102671361
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-N-pentan-2-ylthiolan-3-amine
SMILESCCCC(C)NC1CCSC1C
InChIInChI=1S/C10H21NS/c1-4-5-8(2)11-10-6-7-12-9(10)3/h8-11H,4-7H2,1-3H3
InChIKeyMZGUEPGOKSGVDW-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethylpentan-2-yl)-2-methylthiolan-3-amine
CID 102672154
1-N,1-N-diethyl-4-N-(2-methylthian-3-yl)pentane-1,4-diamine
CID 79956626
N-[4-(furan-2-yl)butan-2-yl]-2-methylthiolan-3-amine
CID 102671262
2-[(2-methylthian-3-yl)amino]propan-1-ol
CID 79957366
3-[(2-methylthiolan-3-yl)amino]pentan-1-ol
CID 102672340
2,5-dimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 64774304
trans-(1S,2S)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317537
trans-(1R,2R)-2-(pentan-2-ylamino)cyclohexan-1-ol
CID 104926547
cis-(1S,2R)-2-[[(2S)-pentan-2-yl]amino]cyclohexan-1-ol
CID 93317535
N-pentan-2-ylthian-4-amine
CID 43394859
3-[(2-methylthiolan-3-yl)amino]pentanenitrile
CID 102673060
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-pentan-2-ylthiolan-3-amine?
The IUPAC name of 2-methyl-N-pentan-2-ylthiolan-3-amine (CID 102671361) is 2-methyl-N-pentan-2-ylthiolan-3-amine.
What is the SMILES notation for 2-methyl-N-pentan-2-ylthiolan-3-amine?
The canonical SMILES for 2-methyl-N-pentan-2-ylthiolan-3-amine is CCCC(C)NC1CCSC1C.
What is the InChIKey of 2-methyl-N-pentan-2-ylthiolan-3-amine?
The InChIKey is MZGUEPGOKSGVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-4-5-8(2)11-10-6-7-12-9(10)3/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-methyl-N-pentan-2-ylthiolan-3-amine?
2-methyl-N-pentan-2-ylthiolan-3-amine has a molecular weight of 187.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pentan-2-ylthiolan-3-amine is sourced from PubChem (CID 102671361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).