N-(2-methylsulfinylethyl)heptan-3-amine

C10H23NOS — CID 115720826

IUPACN-(2-methylsulfinylethyl)heptan-3-amine
SMILESCCCCC(CC)NCCS(C)=O
InChIInChI=1S/C10H23NOS/c1-4-6-7-10(5-2)11-8-9-13(3)12/h10-11H,4-9H2,1-3H3
InChIKeyRDJFPSDHWDRUIR-UHFFFAOYSA-N
MW205.37 g/mol
LogP1.92
Rot. Bonds8

About N-(2-methylsulfinylethyl)heptan-3-amine

N-(2-methylsulfinylethyl)heptan-3-amine (PubChem CID 115720826) has the molecular formula C10H23NOS and a molecular weight of 205.37 g/mol. Its IUPAC name is N-(2-methylsulfinylethyl)heptan-3-amine.

Molecular Properties

Compound NameN-(2-methylsulfinylethyl)heptan-3-amine
PubChem CID115720826
Molecular FormulaC10H23NOS
Molecular Weight205.37 g/mol
Exact Mass205.15
IUPAC NameN-(2-methylsulfinylethyl)heptan-3-amine
SMILESCCCCC(CC)NCCS(C)=O
InChIInChI=1S/C10H23NOS/c1-4-6-7-10(5-2)11-8-9-13(3)12/h10-11H,4-9H2,1-3H3
InChIKeyRDJFPSDHWDRUIR-UHFFFAOYSA-N
XLogP1.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.37
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
CID 115720755
N-pentylheptan-3-amine
CID 63944300
5-methyl-N-(2-methylsulfinylethyl)heptan-3-amine
CID 115720775
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
N-tridecylpentadecan-3-amine
CID 88820168
N-heptan-3-yl-N',N'-dimethylethane-1,2-diamine
CID 63946060
3-(heptan-3-ylamino)propanamide
CID 63944906
N,N'-bis(1-methylsulfinylbutan-2-yl)ethane-1,2-diamine
CID 16727463
N-ethyl-6-propylsulfinylhexan-3-amine
CID 106807953
N-hexan-3-ylhexan-1-amine
CID 62117591
N-hex-5-ynylheptan-3-amine
CID 103903630
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinylethyl)heptan-3-amine?
The IUPAC name of N-(2-methylsulfinylethyl)heptan-3-amine (CID 115720826) is N-(2-methylsulfinylethyl)heptan-3-amine.
What is the SMILES notation for N-(2-methylsulfinylethyl)heptan-3-amine?
The canonical SMILES for N-(2-methylsulfinylethyl)heptan-3-amine is CCCCC(CC)NCCS(C)=O.
What is the InChIKey of N-(2-methylsulfinylethyl)heptan-3-amine?
The InChIKey is RDJFPSDHWDRUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NOS/c1-4-6-7-10(5-2)11-8-9-13(3)12/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2-methylsulfinylethyl)heptan-3-amine?
N-(2-methylsulfinylethyl)heptan-3-amine has a molecular weight of 205.37 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinylethyl)heptan-3-amine is sourced from PubChem (CID 115720826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).