6-methylsulfonyl-N-propan-2-ylhexan-1-amine

C10H23NO2S — CID 64505621

IUPAC6-methylsulfonyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-10(2)11-8-6-4-5-7-9-14(3,12)13/h10-11H,4-9H2,1-3H3
InChIKeyFDNFRVUOUMDWQT-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.59
Rot. Bonds8

About 6-methylsulfonyl-N-propan-2-ylhexan-1-amine

6-methylsulfonyl-N-propan-2-ylhexan-1-amine (PubChem CID 64505621) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 6-methylsulfonyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name6-methylsulfonyl-N-propan-2-ylhexan-1-amine
PubChem CID64505621
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name6-methylsulfonyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)NCCCCCCS(C)(=O)=O
InChIInChI=1S/C10H23NO2S/c1-10(2)11-8-6-4-5-7-9-14(3,12)13/h10-11H,4-9H2,1-3H3
InChIKeyFDNFRVUOUMDWQT-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
3-methylsulfonyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178004453
4-cyclopentylsulfonyl-N-propan-2-ylbutan-1-amine
CID 106512843
1-chloro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 65025907
3-(propan-2-ylamino)propane-1-sulfonic acid;tetramethylazanium
CID 88549181
3-(propan-2-ylamino)propane-1-sulfonic acid;bis(tetramethylazanium)
CID 88549743
1,1-difluoro-N-(3-methylsulfonylpropyl)propan-2-amine
CID 102869245
N-(6-methylsulfanylhexyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106090419
N-(3-methylsulfonylpropyl)octan-2-amine
CID 61019374
N-[(1S)-1-cyclopentylethyl]-3-methylsulfonylpropan-1-amine
CID 81395595
5-[4-(4-bromophenyl)phenyl]sulfonyl-N-propan-2-ylpentan-1-amine
CID 123567383

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 6-methylsulfonyl-N-propan-2-ylhexan-1-amine (CID 64505621) is 6-methylsulfonyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 6-methylsulfonyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 6-methylsulfonyl-N-propan-2-ylhexan-1-amine is CC(C)NCCCCCCS(C)(=O)=O.
What is the InChIKey of 6-methylsulfonyl-N-propan-2-ylhexan-1-amine?
The InChIKey is FDNFRVUOUMDWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-10(2)11-8-6-4-5-7-9-14(3,12)13/h10-11H,4-9H2,1-3H3.
What are the key properties of 6-methylsulfonyl-N-propan-2-ylhexan-1-amine?
6-methylsulfonyl-N-propan-2-ylhexan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 64505621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).