3-butylsulfinylcyclohexan-1-amine

C10H21NOS — CID 64717770

IUPAC3-butylsulfinylcyclohexan-1-amine
SMILESCCCCS(=O)C1CCCC(N)C1
InChIInChI=1S/C10H21NOS/c1-2-3-7-13(12)10-6-4-5-9(11)8-10/h9-10H,2-8,11H2,1H3
InChIKeyMRZWDILEGCHENS-UHFFFAOYSA-N
MW203.35 g/mol
LogP1.81
Rot. Bonds4

About 3-butylsulfinylcyclohexan-1-amine

3-butylsulfinylcyclohexan-1-amine (PubChem CID 64717770) has the molecular formula C10H21NOS and a molecular weight of 203.35 g/mol. Its IUPAC name is 3-butylsulfinylcyclohexan-1-amine.

Molecular Properties

Compound Name3-butylsulfinylcyclohexan-1-amine
PubChem CID64717770
Molecular FormulaC10H21NOS
Molecular Weight203.35 g/mol
Exact Mass203.13
IUPAC Name3-butylsulfinylcyclohexan-1-amine
SMILESCCCCS(=O)C1CCCC(N)C1
InChIInChI=1S/C10H21NOS/c1-2-3-7-13(12)10-6-4-5-9(11)8-10/h9-10H,2-8,11H2,1H3
InChIKeyMRZWDILEGCHENS-UHFFFAOYSA-N
XLogP1.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethylcyclohexyl)sulfinylpropan-1-amine
CID 81187568
4-tert-butyl-2-butylsulfinylcyclohexan-1-amine
CID 64653726
2-pentylsulfinyl-4-propylcyclohexan-1-amine
CID 107758994
3-(1-aminodecyl)cyclohexan-1-amine
CID 139824543
2-butylsulfinylcyclopentane-1-carbonitrile
CID 64692329
3-butylsulfinyloxan-4-amine
CID 64653727
6-cyclopentylsulfinylhexan-3-one
CID 106808624
3-amino-N-butylcyclohexane-1-carboxamide
CID 62778073
1-N-heptan-2-ylcyclohexane-1,3-diamine
CID 79459220
2-methyl-3-pentylsulfinylcyclopentan-1-amine
CID 107758936
3-amino-N-pentylcyclohexane-1-carboxamide
CID 62775416
N-(3-aminocyclohexyl)-N-octanoyloctanamide
CID 142723114

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfinylcyclohexan-1-amine?
The IUPAC name of 3-butylsulfinylcyclohexan-1-amine (CID 64717770) is 3-butylsulfinylcyclohexan-1-amine.
What is the SMILES notation for 3-butylsulfinylcyclohexan-1-amine?
The canonical SMILES for 3-butylsulfinylcyclohexan-1-amine is CCCCS(=O)C1CCCC(N)C1.
What is the InChIKey of 3-butylsulfinylcyclohexan-1-amine?
The InChIKey is MRZWDILEGCHENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NOS/c1-2-3-7-13(12)10-6-4-5-9(11)8-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 3-butylsulfinylcyclohexan-1-amine?
3-butylsulfinylcyclohexan-1-amine has a molecular weight of 203.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfinylcyclohexan-1-amine is sourced from PubChem (CID 64717770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).