1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine

C9H21NO4S2 — CID 106723818

IUPAC1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)CS(C)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-4-6-16(13,14)7-5-10-9(2)8-15(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyHNIDIVHWWDALKD-UHFFFAOYSA-N
MW271.40 g/mol
LogP-0.17
Rot. Bonds8

About 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine

1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine (PubChem CID 106723818) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
PubChem CID106723818
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Name1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine
SMILESCCCS(=O)(=O)CCNC(C)CS(C)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-4-6-16(13,14)7-5-10-9(2)8-15(3,11)12/h9-10H,4-8H2,1-3H3
InChIKeyHNIDIVHWWDALKD-UHFFFAOYSA-N
XLogP-0.17
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 103830241
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
3-(2-propylsulfonylethylamino)butan-1-ol
CID 106724270
N'-tert-butyl-N-(1-methylsulfonylpropan-2-yl)ethane-1,2-diamine
CID 107445725
3-ethyl-N-(2-propylsulfonylethyl)pentan-2-amine
CID 104578137
N-(2-methylsulfonylethyl)nonan-2-amine
CID 60920601
3-methyl-2-(2-propylsulfonylethylamino)butan-1-ol
CID 106723970
N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
1-methylsulfonyl-N-(2-propan-2-yloxyethyl)propan-2-amine
CID 64631820
5-(1-methylsulfonylpropan-2-ylamino)pentan-2-ol
CID 107270412
3,3-diethoxy-N-(1-methylsulfonylpropan-2-yl)propan-1-amine
CID 81092736
1-(5-methylthiophen-2-yl)-N-(2-propylsulfonylethyl)propan-2-amine
CID 106723805

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine?
The IUPAC name of 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine (CID 106723818) is 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine.
What is the SMILES notation for 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine?
The canonical SMILES for 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine is CCCS(=O)(=O)CCNC(C)CS(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine?
The InChIKey is HNIDIVHWWDALKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-4-6-16(13,14)7-5-10-9(2)8-15(3,11)12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine?
1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine has a molecular weight of 271.40 g/mol, XLogP of -0.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2-propylsulfonylethyl)propan-2-amine is sourced from PubChem (CID 106723818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).