N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine

C13H27NOS — CID 107760075

IUPACN-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
SMILESCCC(C)CS(=O)C1CCCCCC1NC
InChIInChI=1S/C13H27NOS/c1-4-11(2)10-16(15)13-9-7-5-6-8-12(13)14-3/h11-14H,4-10H2,1-3H3
InChIKeyLHKZAQPOUFZBJW-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.70
Rot. Bonds5

About N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine

N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine (PubChem CID 107760075) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
PubChem CID107760075
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
SMILESCCC(C)CS(=O)C1CCCCCC1NC
InChIInChI=1S/C13H27NOS/c1-4-11(2)10-16(15)13-9-7-5-6-8-12(13)14-3/h11-14H,4-10H2,1-3H3
InChIKeyLHKZAQPOUFZBJW-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107759857
N-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64651955
2-(2-methylbutylsulfinyl)cycloheptane-1-carbonitrile
CID 107767191
N-methyl-2-propan-2-ylsulfinylcyclohexan-1-amine
CID 64656403
2-benzylsulfinyl-N-methylcyclooctan-1-amine
CID 64658739
2,2-dimethyl-6-(2-methylbutylsulfinyl)cyclohexan-1-amine
CID 107760118
N-methyl-2-(2-methylsulfonylethylsulfinyl)cyclohexan-1-amine
CID 64674130
N-methyl-2-(oxolan-2-ylmethylsulfinyl)cyclohexan-1-amine
CID 106496189
N-ethyl-2,2-dimethyl-5-(2-methylbutylsulfinyl)cyclopentan-1-amine
CID 107759913
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
2-benzylsulfinyl-N-methylcyclopentan-1-amine
CID 64658738
1-N,2-N-dimethylcyclooctane-1,2-diamine
CID 85255471

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine?
The IUPAC name of N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine (CID 107760075) is N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine?
The canonical SMILES for N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine is CCC(C)CS(=O)C1CCCCCC1NC.
What is the InChIKey of N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine?
The InChIKey is LHKZAQPOUFZBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-4-11(2)10-16(15)13-9-7-5-6-8-12(13)14-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine?
N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine is sourced from PubChem (CID 107760075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).