N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine

C13H27NOS — CID 104754724

IUPACN-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
SMILESCCCNC(CS(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H27NOS/c1-4-9-14-13(10-16(15)11(2)3)12-7-5-6-8-12/h11-14H,4-10H2,1-3H3
InChIKeyWYFVANFALXTXTR-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.70
Rot. Bonds7

About N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine

N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine (PubChem CID 104754724) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
PubChem CID104754724
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
SMILESCCCNC(CS(=O)C(C)C)C1CCCC1
InChIInChI=1S/C13H27NOS/c1-4-9-14-13(10-16(15)11(2)3)12-7-5-6-8-12/h11-14H,4-10H2,1-3H3
InChIKeyWYFVANFALXTXTR-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
CID 104754785
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
CID 107758464
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
2-butan-2-ylsulfinyl-1-cyclopentyl-N-methylethanamine
CID 104754509
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
N-[1-cyclohexyl-2-(3-methylphenyl)sulfinylethyl]propan-1-amine
CID 104754748
N-[2-(3-chlorophenyl)sulfinyl-1-cyclopentylethyl]propan-1-amine
CID 104754287

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine?
The IUPAC name of N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine (CID 104754724) is N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine.
What is the SMILES notation for N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine?
The canonical SMILES for N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine is CCCNC(CS(=O)C(C)C)C1CCCC1.
What is the InChIKey of N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine?
The InChIKey is WYFVANFALXTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-9-14-13(10-16(15)11(2)3)12-7-5-6-8-12/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine?
N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine is sourced from PubChem (CID 104754724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).