2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine

C17H35NOS — CID 107758756

IUPAC2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCCCS(=O)C1CC(C(C)C)CCC1NCCC
InChIInChI=1S/C17H35NOS/c1-5-7-8-12-20(19)17-13-15(14(3)4)9-10-16(17)18-11-6-2/h14-18H,5-13H2,1-4H3
InChIKeyBVIGMXDDHFJWBS-UHFFFAOYSA-N
MW301.54 g/mol
LogP4.12
Rot. Bonds9

About 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine

2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 107758756) has the molecular formula C17H35NOS and a molecular weight of 301.54 g/mol. Its IUPAC name is 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID107758756
Molecular FormulaC17H35NOS
Molecular Weight301.54 g/mol
Exact Mass301.24
IUPAC Name2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCCCS(=O)C1CC(C(C)C)CCC1NCCC
InChIInChI=1S/C17H35NOS/c1-5-7-8-12-20(19)17-13-15(14(3)4)9-10-16(17)18-11-6-2/h14-18H,5-13H2,1-4H3
InChIKeyBVIGMXDDHFJWBS-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 64652319
2-pentylsulfinyl-N-propylcyclooctan-1-amine
CID 107759026
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
N-ethyl-2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758842
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
2-(3-methoxypropylsulfinyl)-N-propylcyclopentan-1-amine
CID 64659982
7-butylsulfinyl-N-propyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 64653912

Frequently Asked Questions

What is the IUPAC name of 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 107758756) is 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCCCS(=O)C1CC(C(C)C)CCC1NCCC.
What is the InChIKey of 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is BVIGMXDDHFJWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NOS/c1-5-7-8-12-20(19)17-13-15(14(3)4)9-10-16(17)18-11-6-2/h14-18H,5-13H2,1-4H3.
What are the key properties of 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 301.54 g/mol, XLogP of 4.12, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107758756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).