N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine

C14H25NS — CID 79951815

IUPACN-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine
SMILESCC1(C)CCSCC1NC(C1CC1)C1CC1
InChIInChI=1S/C14H25NS/c1-14(2)7-8-16-9-12(14)15-13(10-3-4-10)11-5-6-11/h10-13,15H,3-9H2,1-2H3
InChIKeyGVXROFUAHJEQIK-UHFFFAOYSA-N
MW239.43 g/mol
LogP3.30
Rot. Bonds4

About N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine

N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine (PubChem CID 79951815) has the molecular formula C14H25NS and a molecular weight of 239.43 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine
PubChem CID79951815
Molecular FormulaC14H25NS
Molecular Weight239.43 g/mol
Exact Mass239.17
IUPAC NameN-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine
SMILESCC1(C)CCSCC1NC(C1CC1)C1CC1
InChIInChI=1S/C14H25NS/c1-14(2)7-8-16-9-12(14)15-13(10-3-4-10)11-5-6-11/h10-13,15H,3-9H2,1-2H3
InChIKeyGVXROFUAHJEQIK-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-cyclohexylethyl]-4,4-dimethylthian-3-amine
CID 81387257
N-(1-methoxybutan-2-yl)-4,4-dimethylthian-3-amine
CID 79949056
4,4-dimethyl-N-[1-(4-methylphenyl)ethyl]thian-3-amine
CID 79948866
4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine
CID 79948426
N-(1-ethoxy-3-methylbutan-2-yl)-4,4-dimethylthian-3-amine
CID 114114868
2-[(4,4-dimethylthian-3-yl)amino]-3-phenylpropan-1-ol
CID 79948114
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
2-[(4,4-dimethylthian-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79947942
N-[1-(2-bromophenyl)ethyl]-4,4-dimethylthian-3-amine
CID 79951727
2-[(4,4-dimethylthian-3-yl)amino]-2-phenylethanol
CID 79947872
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4,4-dimethylthian-3-amine
CID 81396655
4,4-dimethyl-N-(2-methylcycloheptyl)thian-3-amine
CID 79948975

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine?
The IUPAC name of N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine (CID 79951815) is N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine is CC1(C)CCSCC1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine?
The InChIKey is GVXROFUAHJEQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NS/c1-14(2)7-8-16-9-12(14)15-13(10-3-4-10)11-5-6-11/h10-13,15H,3-9H2,1-2H3.
What are the key properties of N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine?
N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine has a molecular weight of 239.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4,4-dimethylthian-3-amine is sourced from PubChem (CID 79951815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).