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

C12H23NS — CID 130948671

IUPACN-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
SMILESCC1CC(NC2CCCSC2C)C1C
InChIInChI=1S/C12H23NS/c1-8-7-12(9(8)2)13-11-5-4-6-14-10(11)3/h8-13H,4-7H2,1-3H3
InChIKeyONYWFVWXHHAKMI-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.90
Rot. Bonds2

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

N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine (PubChem CID 130948671) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
PubChem CID130948671
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine
SMILESCC1CC(NC2CCCSC2C)C1C
InChIInChI=1S/C12H23NS/c1-8-7-12(9(8)2)13-11-5-4-6-14-10(11)3/h8-13H,4-7H2,1-3H3
InChIKeyONYWFVWXHHAKMI-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylcyclohexyl)-2-methylthian-3-amine
CID 79957712
2-methyl-N-(2-methylcyclohexyl)thian-3-amine
CID 79956809
N-(2,3-dimethylcyclobutyl)thian-3-amine
CID 130621412
[2-[(2-methylthian-3-yl)amino]cyclohexyl]methanol
CID 106359743
2-methyl-N-[2-(trifluoromethyl)cyclohexyl]thian-3-amine
CID 79957475
N-(2,3-dimethylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130659290
N-(2-ethylcyclohexyl)-2-methylthiolan-3-amine
CID 102671503
N-(1,1-dioxothian-4-yl)-2-methylthian-3-amine
CID 79957007
2-[(2-methylthian-3-yl)amino]propan-1-ol
CID 79957366
2,3-dimethyl-N-(2-methylsulfanylcyclobutyl)cyclobutan-1-amine
CID 130617127
N-(2,3-dimethylcyclobutyl)-3-methylpiperidin-4-amine
CID 131162880
4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxamide
CID 79956852

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine?
The IUPAC name of N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine (CID 130948671) is N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine.
What is the SMILES notation for N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine?
The canonical SMILES for N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine is CC1CC(NC2CCCSC2C)C1C.
What is the InChIKey of N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine?
The InChIKey is ONYWFVWXHHAKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-8-7-12(9(8)2)13-11-5-4-6-14-10(11)3/h8-13H,4-7H2,1-3H3.
What are the key properties of N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine?
N-(2,3-dimethylcyclobutyl)-2-methylthian-3-amine has a molecular weight of 213.39 g/mol, XLogP of 2.90, 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)-2-methylthian-3-amine is sourced from PubChem (CID 130948671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).