N-(1,1-difluoropropan-2-yl)thian-3-amine

C8H15F2NS — CID 102870110

IUPACN-(1,1-difluoropropan-2-yl)thian-3-amine
SMILESCC(NC1CCCSC1)C(F)F
InChIInChI=1S/C8H15F2NS/c1-6(8(9)10)11-7-3-2-4-12-5-7/h6-8,11H,2-5H2,1H3
InChIKeyGOBJYCZXMRIELQ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.13
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)thian-3-amine

N-(1,1-difluoropropan-2-yl)thian-3-amine (PubChem CID 102870110) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)thian-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)thian-3-amine
PubChem CID102870110
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-(1,1-difluoropropan-2-yl)thian-3-amine
SMILESCC(NC1CCCSC1)C(F)F
InChIInChI=1S/C8H15F2NS/c1-6(8(9)10)11-7-3-2-4-12-5-7/h6-8,11H,2-5H2,1H3
InChIKeyGOBJYCZXMRIELQ-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)thian-3-amine
CID 62872321
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
CID 82945113
N-(4-ethylsulfanylbutan-2-yl)thian-3-amine
CID 115882201
(1S,2S)-1-(3,4-difluorophenyl)-2-[[(3S)-thian-3-yl]amino]propan-1-ol
CID 99853725
(1R,2S)-1-(3,4-difluorophenyl)-2-[[(3S)-thian-3-yl]amino]propan-1-ol
CID 129446312
N-methylthian-3-amine;hydrochloride
CID 86811695
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
N'-hydroxy-2-(thian-3-ylamino)propanimidamide
CID 104870628
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-methyl-N-(thian-3-yl)propanamide
CID 115674781
N-[1-[4-(trifluoromethyl)phenyl]ethyl]thian-3-amine
CID 62872906

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)thian-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)thian-3-amine (CID 102870110) is N-(1,1-difluoropropan-2-yl)thian-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)thian-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)thian-3-amine is CC(NC1CCCSC1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)thian-3-amine?
The InChIKey is GOBJYCZXMRIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-6(8(9)10)11-7-3-2-4-12-5-7/h6-8,11H,2-5H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)thian-3-amine?
N-(1,1-difluoropropan-2-yl)thian-3-amine has a molecular weight of 195.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)thian-3-amine is sourced from PubChem (CID 102870110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).