3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide

C15H30N2O4S — CID 71097027

IUPAC3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide
SMILESCCCCS(=O)(=O)CCC(=O)N(C)C[C@H](O)CN(C)C1CC1
InChIInChI=1S/C15H30N2O4S/c1-4-5-9-22(20,21)10-8-15(19)17(3)12-14(18)11-16(2)13-6-7-13/h13-14,18H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyYUESIMWOHIJAEX-CQSZACIVSA-N
MW334.48 g/mol
LogP0.50
Rot. Bonds11

About 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide

3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide (PubChem CID 71097027) has the molecular formula C15H30N2O4S and a molecular weight of 334.48 g/mol. Its IUPAC name is 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide
PubChem CID71097027
Molecular FormulaC15H30N2O4S
Molecular Weight334.48 g/mol
Exact Mass334.19
IUPAC Name3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide
SMILESCCCCS(=O)(=O)CCC(=O)N(C)C[C@H](O)CN(C)C1CC1
InChIInChI=1S/C15H30N2O4S/c1-4-5-9-22(20,21)10-8-15(19)17(3)12-14(18)11-16(2)13-6-7-13/h13-14,18H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyYUESIMWOHIJAEX-CQSZACIVSA-N
XLogP0.50
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide?
The IUPAC name of 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide (CID 71097027) is 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide.
What is the SMILES notation for 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide?
The canonical SMILES for 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide is CCCCS(=O)(=O)CCC(=O)N(C)C[C@H](O)CN(C)C1CC1.
What is the InChIKey of 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide?
The InChIKey is YUESIMWOHIJAEX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30N2O4S/c1-4-5-9-22(20,21)10-8-15(19)17(3)12-14(18)11-16(2)13-6-7-13/h13-14,18H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide?
3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide has a molecular weight of 334.48 g/mol, XLogP of 0.50, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-N-[(2R)-3-[cyclopropyl(methyl)amino]-2-hydroxypropyl]-N-methylpropanamide is sourced from PubChem (CID 71097027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).