N-(2,3-dimethylcyclobutyl)thian-3-amine

C11H21NS — CID 130621412

IUPACN-(2,3-dimethylcyclobutyl)thian-3-amine
SMILESCC1CC(NC2CCCSC2)C1C
InChIInChI=1S/C11H21NS/c1-8-6-11(9(8)2)12-10-4-3-5-13-7-10/h8-12H,3-7H2,1-2H3
InChIKeyURDVCIFDIFXJNA-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.52
Rot. Bonds2

About N-(2,3-dimethylcyclobutyl)thian-3-amine

N-(2,3-dimethylcyclobutyl)thian-3-amine (PubChem CID 130621412) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(2,3-dimethylcyclobutyl)thian-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclobutyl)thian-3-amine
PubChem CID130621412
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(2,3-dimethylcyclobutyl)thian-3-amine
SMILESCC1CC(NC2CCCSC2)C1C
InChIInChI=1S/C11H21NS/c1-8-6-11(9(8)2)12-10-4-3-5-13-7-10/h8-12H,3-7H2,1-2H3
InChIKeyURDVCIFDIFXJNA-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]thian-3-amine
CID 94885711
N-[(1R,2R)-2-methylcyclopropyl]thiolan-3-amine
CID 131110851
N-(2-methylcyclopentyl)thiolan-3-amine
CID 63277405
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
CID 130948671
N-(3-bicyclo[3.1.0]hexanyl)thian-3-amine
CID 131057670
trans-(1S,2S)-2-[[(3R)-thian-3-yl]amino]cyclohexan-1-ol
CID 94887280
N-(2-ethylcyclopentyl)thian-3-amine
CID 115726681
2-methyl-N-(thian-3-yl)oxan-4-amine
CID 115898568
N-methylthian-3-amine;hydrochloride
CID 86811695
N-(3-methylcyclohexyl)thiolan-3-amine
CID 43317743
N-(2,3-dimethylcyclohexyl)thian-4-amine
CID 43394865
N-(1,1-dioxothietan-3-yl)thian-3-amine
CID 115032985

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclobutyl)thian-3-amine?
The IUPAC name of N-(2,3-dimethylcyclobutyl)thian-3-amine (CID 130621412) is N-(2,3-dimethylcyclobutyl)thian-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclobutyl)thian-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclobutyl)thian-3-amine is CC1CC(NC2CCCSC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclobutyl)thian-3-amine?
The InChIKey is URDVCIFDIFXJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-8-6-11(9(8)2)12-10-4-3-5-13-7-10/h8-12H,3-7H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclobutyl)thian-3-amine?
N-(2,3-dimethylcyclobutyl)thian-3-amine has a molecular weight of 199.36 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclobutyl)thian-3-amine is sourced from PubChem (CID 130621412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).