N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide

C9H22N2O4S2 — CID 82840218

IUPACN-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-5-6-11(9(2,3)7-10)17(14,15)8-16(4,12)13/h5-8,10H2,1-4H3
InChIKeyIONKUNFLHFDTMM-UHFFFAOYSA-N
MW286.42 g/mol
LogP-0.23
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide

N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide (PubChem CID 82840218) has the molecular formula C9H22N2O4S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide
PubChem CID82840218
Molecular FormulaC9H22N2O4S2
Molecular Weight286.42 g/mol
Exact Mass286.10
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide
SMILESCCCN(C(C)(C)CN)S(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C9H22N2O4S2/c1-5-6-11(9(2,3)7-10)17(14,15)8-16(4,12)13/h5-8,10H2,1-4H3
InChIKeyIONKUNFLHFDTMM-UHFFFAOYSA-N
XLogP-0.23
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide (CID 82840218) is N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide is CCCN(C(C)(C)CN)S(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide?
The InChIKey is IONKUNFLHFDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O4S2/c1-5-6-11(9(2,3)7-10)17(14,15)8-16(4,12)13/h5-8,10H2,1-4H3.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide?
N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide has a molecular weight of 286.42 g/mol, XLogP of -0.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-1-methylsulfonyl-N-propylmethanesulfonamide is sourced from PubChem (CID 82840218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).