4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine

C11H25NO2S2 — CID 65131331

IUPAC4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)CSC(C)C
InChIInChI=1S/C11H25NO2S2/c1-5-7-12-11(9-15-10(2)3)6-8-16(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyKDRMJMAZRCTYEI-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.93
Rot. Bonds9

About 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine

4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine (PubChem CID 65131331) has the molecular formula C11H25NO2S2 and a molecular weight of 267.46 g/mol. Its IUPAC name is 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
PubChem CID65131331
Molecular FormulaC11H25NO2S2
Molecular Weight267.46 g/mol
Exact Mass267.13
IUPAC Name4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine
SMILESCCCNC(CCS(C)(=O)=O)CSC(C)C
InChIInChI=1S/C11H25NO2S2/c1-5-7-12-11(9-15-10(2)3)6-8-16(4,13)14/h10-12H,5-9H2,1-4H3
InChIKeyKDRMJMAZRCTYEI-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)sulfanyl-4-methylsulfonyl-N-propylbutan-2-amine
CID 66143702
5,5-dimethyl-1-propan-2-ylsulfanyl-N-propylhexan-2-amine
CID 65131446
5-methylsulfonyl-N-propyl-1-propylsulfanylpentan-2-amine
CID 65128638
1-ethoxy-5-methylsulfonyl-N-propylpentan-3-amine
CID 114984093
5,7,7-trimethyl-1-methylsulfonyl-N-propyloctan-3-amine
CID 115848596
1-(1-methylsulfonylpiperidin-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 79612455
1-[(2-methylpropan-2-yl)oxy]-4-methylsulfonyl-N-propylbutan-2-amine
CID 114984289
6-methoxy-1-methylsulfonyl-N-propylhexan-3-amine
CID 65092471
2-(2-methylsulfonylethylsulfanyl)-N-propylpentan-3-amine
CID 64611487
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
4-methyl-1-propan-2-ylsulfanyl-N-propylpent-4-en-2-amine
CID 79185950
3-(2-methylsulfonylethylsulfanyl)-N-propylbutan-2-amine
CID 64610248

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The IUPAC name of 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine (CID 65131331) is 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The canonical SMILES for 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine is CCCNC(CCS(C)(=O)=O)CSC(C)C.
What is the InChIKey of 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
The InChIKey is KDRMJMAZRCTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2S2/c1-5-7-12-11(9-15-10(2)3)6-8-16(4,13)14/h10-12H,5-9H2,1-4H3.
What are the key properties of 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine?
4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-propan-2-ylsulfanyl-N-propylbutan-2-amine is sourced from PubChem (CID 65131331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).