N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine

C12H23NS — CID 79956232

IUPACN-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
SMILESCC1(C)CSCC(NCC2CCC2)C1
InChIInChI=1S/C12H23NS/c1-12(2)6-11(8-14-9-12)13-7-10-4-3-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyYMYUUPCCGRZVGA-UHFFFAOYSA-N
MW213.39 g/mol
LogP2.91
Rot. Bonds3

About N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine

N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine (PubChem CID 79956232) has the molecular formula C12H23NS and a molecular weight of 213.39 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
PubChem CID79956232
Molecular FormulaC12H23NS
Molecular Weight213.39 g/mol
Exact Mass213.16
IUPAC NameN-(cyclobutylmethyl)-5,5-dimethylthian-3-amine
SMILESCC1(C)CSCC(NCC2CCC2)C1
InChIInChI=1S/C12H23NS/c1-12(2)6-11(8-14-9-12)13-7-10-4-3-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyYMYUUPCCGRZVGA-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1,1-dioxothiolan-2-yl)methyl]-5,5-dimethylthian-3-amine
CID 81039272
5-chloro-N-(cyclobutylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 164649744
5,5-dimethyl-N-(2-methylcyclopentyl)thian-3-amine
CID 79958244
(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
[1-[[(5,5-dimethylthian-3-yl)amino]methyl]cyclopropyl]methanol
CID 115454320
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
N-(cyclobutylmethyl)cyclobutanamine
CID 57306046
N-[(2,5-difluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79959140
3-[(5,5-dimethylthian-3-yl)amino]-N-methylpropanamide
CID 79958079
5,5-dimethyl-N-[(4-methylphenyl)methyl]thian-3-amine
CID 79955600
N-(2-methoxyethoxy)-5,5-dimethylthian-3-amine
CID 82711790
5,5-dimethyl-N-[(2-methylpropan-2-yl)oxy]thian-3-amine
CID 82720584

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine (CID 79956232) is N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine is CC1(C)CSCC(NCC2CCC2)C1.
What is the InChIKey of N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine?
The InChIKey is YMYUUPCCGRZVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NS/c1-12(2)6-11(8-14-9-12)13-7-10-4-3-5-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine?
N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine has a molecular weight of 213.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-5,5-dimethylthian-3-amine is sourced from PubChem (CID 79956232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).