N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine

C14H21NS — CID 115677395

IUPACN-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine
SMILESCC(CNC(C)C1CC1)Sc1ccccc1
InChIInChI=1S/C14H21NS/c1-11(10-15-12(2)13-8-9-13)16-14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3
InChIKeyQGSOCBXETKOJBO-UHFFFAOYSA-N
MW235.40 g/mol
LogP3.56
Rot. Bonds6

About N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine

N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine (PubChem CID 115677395) has the molecular formula C14H21NS and a molecular weight of 235.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine
PubChem CID115677395
Molecular FormulaC14H21NS
Molecular Weight235.40 g/mol
Exact Mass235.14
IUPAC NameN-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine
SMILESCC(CNC(C)C1CC1)Sc1ccccc1
InChIInChI=1S/C14H21NS/c1-11(10-15-12(2)13-8-9-13)16-14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3
InChIKeyQGSOCBXETKOJBO-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylsulfanylpropyl)thiolan-3-amine
CID 115724831
1-cyclopropyl-N-(2-phenylethyl)ethanamine
CID 43178582
N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258
N-(2-phenylsulfanylpropyl)ethanesulfonamide
CID 71997201
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
(1R)-1-cycloheptyl-N-(2-phenylsulfanylethyl)ethanamine
CID 81392929
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine (CID 115677395) is N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine is CC(CNC(C)C1CC1)Sc1ccccc1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine?
The InChIKey is QGSOCBXETKOJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NS/c1-11(10-15-12(2)13-8-9-13)16-14-6-4-3-5-7-14/h3-7,11-13,15H,8-10H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine?
N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine has a molecular weight of 235.40 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-phenylsulfanylpropan-1-amine is sourced from PubChem (CID 115677395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).