N-(dicyclopropylmethyl)thian-3-amine

C12H21NS — CID 62872321

IUPACN-(dicyclopropylmethyl)thian-3-amine
SMILESC1CSCC(NC(C2CC2)C2CC2)C1
InChIInChI=1S/C12H21NS/c1-2-11(8-14-7-1)13-12(9-3-4-9)10-5-6-10/h9-13H,1-8H2
InChIKeyLVKZCAOQUUFPFD-UHFFFAOYSA-N
MW211.37 g/mol
LogP2.66
Rot. Bonds4

About N-(dicyclopropylmethyl)thian-3-amine

N-(dicyclopropylmethyl)thian-3-amine (PubChem CID 62872321) has the molecular formula C12H21NS and a molecular weight of 211.37 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)thian-3-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)thian-3-amine
PubChem CID62872321
Molecular FormulaC12H21NS
Molecular Weight211.37 g/mol
Exact Mass211.14
IUPAC NameN-(dicyclopropylmethyl)thian-3-amine
SMILESC1CSCC(NC(C2CC2)C2CC2)C1
InChIInChI=1S/C12H21NS/c1-2-11(8-14-7-1)13-12(9-3-4-9)10-5-6-10/h9-13H,1-8H2
InChIKeyLVKZCAOQUUFPFD-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(thian-3-ylamino)propane-1,3-diol
CID 65312497
2-[[(3R)-thian-3-yl]amino]propane-1,3-diol
CID 96981211
N-(1,1-difluoropropan-2-yl)thian-3-amine
CID 102870110
N-(1-cyclopropylpent-4-enyl)thian-3-amine
CID 115751474
N-[(1R)-1-cyclopentylethyl]thiolan-3-amine
CID 81394776
N-(dicyclopropylmethyl)cyclopropanamine
CID 16783025
N-methylthian-3-amine;hydrochloride
CID 86811695
1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
1-N,1-N-dimethyl-2-N-(thian-3-yl)propane-1,2-diamine
CID 82945113
(4R)-4-[[(3S)-thian-3-yl]amino]pentan-1-ol
CID 97051575
N'-hydroxy-2-(thian-3-ylamino)propanimidamide
CID 104870628
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)thian-3-amine?
The IUPAC name of N-(dicyclopropylmethyl)thian-3-amine (CID 62872321) is N-(dicyclopropylmethyl)thian-3-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)thian-3-amine?
The canonical SMILES for N-(dicyclopropylmethyl)thian-3-amine is C1CSCC(NC(C2CC2)C2CC2)C1.
What is the InChIKey of N-(dicyclopropylmethyl)thian-3-amine?
The InChIKey is LVKZCAOQUUFPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NS/c1-2-11(8-14-7-1)13-12(9-3-4-9)10-5-6-10/h9-13H,1-8H2.
What are the key properties of N-(dicyclopropylmethyl)thian-3-amine?
N-(dicyclopropylmethyl)thian-3-amine has a molecular weight of 211.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)thian-3-amine is sourced from PubChem (CID 62872321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).