3-propan-2-ylsulfonyl-N-propylpropan-1-amine

C9H21NO2S — CID 64675616

IUPAC3-propan-2-ylsulfonyl-N-propylpropan-1-amine
SMILESCCCNCCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-4-6-10-7-5-8-13(11,12)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyNMPCLAXFQGTKLU-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.20
Rot. Bonds7

About 3-propan-2-ylsulfonyl-N-propylpropan-1-amine

3-propan-2-ylsulfonyl-N-propylpropan-1-amine (PubChem CID 64675616) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-propan-2-ylsulfonyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-propan-2-ylsulfonyl-N-propylpropan-1-amine
PubChem CID64675616
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-propan-2-ylsulfonyl-N-propylpropan-1-amine
SMILESCCCNCCCS(=O)(=O)C(C)C
InChIInChI=1S/C9H21NO2S/c1-4-6-10-7-5-8-13(11,12)9(2)3/h9-10H,4-8H2,1-3H3
InChIKeyNMPCLAXFQGTKLU-UHFFFAOYSA-N
XLogP1.20
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.20
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-propan-2-ylsulfonylethyl)propan-1-amine
CID 64676405
2-methyl-N-(3-propan-2-ylsulfonylpropyl)propan-1-amine
CID 64675618
1-propan-2-ylsulfonylhexane
CID 59079246
N-(3-methyl-2-propan-2-ylbutyl)-3-(propylamino)propane-1-sulfonamide
CID 102915713
6-bromo-N-(2-propan-2-ylsulfonylethyl)hexan-1-amine
CID 107844658
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
4-methylsulfanyl-N-(2-propan-2-ylsulfonylethyl)butan-1-amine
CID 106724466
N-(2-propan-2-ylsulfonylethyl)pent-4-yn-1-amine
CID 106221548
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)propane-1-sulfonamide
CID 106074272
4-(2-methylbutylsulfonyl)-N-propylbutan-1-amine
CID 107757626
5-chloro-4-methyl-N-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106153515
N-[2-(3-methylbutan-2-ylsulfonyl)ethyl]butan-1-amine
CID 107757362

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylsulfonyl-N-propylpropan-1-amine?
The IUPAC name of 3-propan-2-ylsulfonyl-N-propylpropan-1-amine (CID 64675616) is 3-propan-2-ylsulfonyl-N-propylpropan-1-amine.
What is the SMILES notation for 3-propan-2-ylsulfonyl-N-propylpropan-1-amine?
The canonical SMILES for 3-propan-2-ylsulfonyl-N-propylpropan-1-amine is CCCNCCCS(=O)(=O)C(C)C.
What is the InChIKey of 3-propan-2-ylsulfonyl-N-propylpropan-1-amine?
The InChIKey is NMPCLAXFQGTKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-4-6-10-7-5-8-13(11,12)9(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-propan-2-ylsulfonyl-N-propylpropan-1-amine?
3-propan-2-ylsulfonyl-N-propylpropan-1-amine has a molecular weight of 207.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylsulfonyl-N-propylpropan-1-amine is sourced from PubChem (CID 64675616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).