N-(3,3-dimethylcyclobutyl)thian-4-amine

C11H21NS — CID 115021835

IUPACN-(3,3-dimethylcyclobutyl)thian-4-amine
SMILESCC1(C)CC(NC2CCSCC2)C1
InChIInChI=1S/C11H21NS/c1-11(2)7-10(8-11)12-9-3-5-13-6-4-9/h9-10,12H,3-8H2,1-2H3
InChIKeyPQMAAATVJKHXHI-UHFFFAOYSA-N
MW199.36 g/mol
LogP2.66
Rot. Bonds2

About N-(3,3-dimethylcyclobutyl)thian-4-amine

N-(3,3-dimethylcyclobutyl)thian-4-amine (PubChem CID 115021835) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is N-(3,3-dimethylcyclobutyl)thian-4-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclobutyl)thian-4-amine
PubChem CID115021835
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC NameN-(3,3-dimethylcyclobutyl)thian-4-amine
SMILESCC1(C)CC(NC2CCSCC2)C1
InChIInChI=1S/C11H21NS/c1-11(2)7-10(8-11)12-9-3-5-13-6-4-9/h9-10,12H,3-8H2,1-2H3
InChIKeyPQMAAATVJKHXHI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3,3-dimethylcyclobutyl)amino]cyclohexan-1-ol
CID 130609640
1-ethyl-4-(thian-4-ylamino)cyclohexan-1-ol
CID 115888197
N-(3-methylcyclohexyl)thian-4-amine
CID 43428241
N-(3,3,5-trimethylcyclohexyl)cycloheptanamine
CID 43081420
N-cyclohexyl-3,3,5-trimethylcyclohexan-1-amine
CID 43080538
N-(3,3-dimethylcyclopentyl)cyclododecanamine
CID 114544295
2,2-dimethyl-N-(thiolan-3-yl)-1,3-dioxan-5-amine
CID 104585321
4-N-(3,3,5-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 62314944
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
N-(3-ethoxy-2,2-dimethylcyclobutyl)thian-4-amine
CID 115641989
N-(2-ethylcyclopropyl)thian-4-amine
CID 103670014
4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol
CID 80693267

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclobutyl)thian-4-amine?
The IUPAC name of N-(3,3-dimethylcyclobutyl)thian-4-amine (CID 115021835) is N-(3,3-dimethylcyclobutyl)thian-4-amine.
What is the SMILES notation for N-(3,3-dimethylcyclobutyl)thian-4-amine?
The canonical SMILES for N-(3,3-dimethylcyclobutyl)thian-4-amine is CC1(C)CC(NC2CCSCC2)C1.
What is the InChIKey of N-(3,3-dimethylcyclobutyl)thian-4-amine?
The InChIKey is PQMAAATVJKHXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-11(2)7-10(8-11)12-9-3-5-13-6-4-9/h9-10,12H,3-8H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclobutyl)thian-4-amine?
N-(3,3-dimethylcyclobutyl)thian-4-amine has a molecular weight of 199.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclobutyl)thian-4-amine is sourced from PubChem (CID 115021835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).