6,6-dimethylthian-3-amine

C7H15NS — CID 59657956

IUPAC6,6-dimethylthian-3-amine
SMILESCC1(C)CCC(N)CS1
InChIInChI=1S/C7H15NS/c1-7(2)4-3-6(8)5-9-7/h6H,3-5,8H2,1-2H3
InChIKeyDPKKHKKYXMUHCL-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.62
Rot. Bonds

About 6,6-dimethylthian-3-amine

6,6-dimethylthian-3-amine (PubChem CID 59657956) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 6,6-dimethylthian-3-amine.

Molecular Properties

Compound Name6,6-dimethylthian-3-amine
PubChem CID59657956
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name6,6-dimethylthian-3-amine
SMILESCC1(C)CCC(N)CS1
InChIInChI=1S/C7H15NS/c1-7(2)4-3-6(8)5-9-7/h6H,3-5,8H2,1-2H3
InChIKeyDPKKHKKYXMUHCL-UHFFFAOYSA-N
XLogP1.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethylthiolan-3-amine
CID 59657851
5-amino-2,2-dimethylcyclohexan-1-ol;hydrochloride
CID 89158271
1-[2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethyl]piperidin-4-amine
CID 107456029
3,3-dimethylcyclobutan-1-amine
CID 14988402
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
(2R,4aR,8aR)-4a,8a-dimethyl-1,2,3,4,5,6,7,8-octahydronaphthalen-2-amine
CID 130979819
3,3,6-trimethyldithiane
CID 142951856
2-amino-5,5-dimethyl-1,4-oxathiepan-7-one
CID 18679250
(3-aminocyclopentyl)-(7,7-dimethyl-1,4-thiazepan-4-yl)methanone
CID 107454532
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
3-but-3-enyl-3-methylcyclopentan-1-amine
CID 116538762
cis-(1R,2R)-2-amino-2-methylcyclopentan-1-ol
CID 18659395

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylthian-3-amine?
The IUPAC name of 6,6-dimethylthian-3-amine (CID 59657956) is 6,6-dimethylthian-3-amine.
What is the SMILES notation for 6,6-dimethylthian-3-amine?
The canonical SMILES for 6,6-dimethylthian-3-amine is CC1(C)CCC(N)CS1.
What is the InChIKey of 6,6-dimethylthian-3-amine?
The InChIKey is DPKKHKKYXMUHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(2)4-3-6(8)5-9-7/h6H,3-5,8H2,1-2H3.
What are the key properties of 6,6-dimethylthian-3-amine?
6,6-dimethylthian-3-amine has a molecular weight of 145.27 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylthian-3-amine is sourced from PubChem (CID 59657956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).