2-methyl-1-(thiolan-3-yl)pentan-1-amine

C10H21NS — CID 107893917

IUPAC2-methyl-1-(thiolan-3-yl)pentan-1-amine
SMILESCCCC(C)C(N)C1CCSC1
InChIInChI=1S/C10H21NS/c1-3-4-8(2)10(11)9-5-6-12-7-9/h8-10H,3-7,11H2,1-2H3
InChIKeyINGHDKBOVKAZPY-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.50
Rot. Bonds4

About 2-methyl-1-(thiolan-3-yl)pentan-1-amine

2-methyl-1-(thiolan-3-yl)pentan-1-amine (PubChem CID 107893917) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 2-methyl-1-(thiolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-1-(thiolan-3-yl)pentan-1-amine
PubChem CID107893917
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name2-methyl-1-(thiolan-3-yl)pentan-1-amine
SMILESCCCC(C)C(N)C1CCSC1
InChIInChI=1S/C10H21NS/c1-3-4-8(2)10(11)9-5-6-12-7-9/h8-10H,3-7,11H2,1-2H3
InChIKeyINGHDKBOVKAZPY-UHFFFAOYSA-N
XLogP2.50
TPSA26.02 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-Dimethylthiolan-2-yl)-2,2,2-trifluoroethanamine
CID 163576724
4,4,4-Trifluoro-1-(2-methylthiolan-2-yl)butan-1-amine
CID 105156346
5,5,5-Trifluoro-1-(2-methylthiolan-2-yl)pentan-1-amine
CID 105174337
5,5,5-Trifluoro-1-(thiolan-3-yl)pentan-1-amine
CID 105174427
1-Fluoro-1-(thiolan-3-yl)propan-2-amine
CID 105432256
3-Fluoro-3-(thiolan-3-yl)butan-2-amine
CID 105437219
4-(2-Fluoropropyl)thiolan-3-amine
CID 115012879
4-[(2,2-Difluorocyclopentyl)methyl]thiolan-3-amine
CID 131151211
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine
CID 10750601
1-Cyclohexyl-3-ethylsulfanylpropan-2-amine
CID 18361101
(2S)-1-cyclohexyl-3-ethylsulfanylpropan-2-amine;hydrochloride
CID 20699042
3-[2-(2-Aminoethyl)octylsulfanylmethyl]nonan-1-amine
CID 53733893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(thiolan-3-yl)pentan-1-amine?
The IUPAC name of 2-methyl-1-(thiolan-3-yl)pentan-1-amine (CID 107893917) is 2-methyl-1-(thiolan-3-yl)pentan-1-amine.
What is the SMILES notation for 2-methyl-1-(thiolan-3-yl)pentan-1-amine?
The canonical SMILES for 2-methyl-1-(thiolan-3-yl)pentan-1-amine is CCCC(C)C(N)C1CCSC1.
What is the InChIKey of 2-methyl-1-(thiolan-3-yl)pentan-1-amine?
The InChIKey is INGHDKBOVKAZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-4-8(2)10(11)9-5-6-12-7-9/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-methyl-1-(thiolan-3-yl)pentan-1-amine?
2-methyl-1-(thiolan-3-yl)pentan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(thiolan-3-yl)pentan-1-amine is sourced from PubChem (CID 107893917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).