N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide

C11H26N2O3S — CID 54972654

IUPACN-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-5-7-13(8-9-14)17(15,16)10-6-12-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyKQFWAMPYJGMMIR-UHFFFAOYSA-N
MW266.41 g/mol
LogP0.41
Rot. Bonds10

About N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide

N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide (PubChem CID 54972654) has the molecular formula C11H26N2O3S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
PubChem CID54972654
Molecular FormulaC11H26N2O3S
Molecular Weight266.41 g/mol
Exact Mass266.17
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
SMILESCCCCN(CCO)S(=O)(=O)CCNC(C)C
InChIInChI=1S/C11H26N2O3S/c1-4-5-7-13(8-9-14)17(15,16)10-6-12-11(2)3/h11-12,14H,4-10H2,1-3H3
InChIKeyKQFWAMPYJGMMIR-UHFFFAOYSA-N
XLogP0.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 107480985
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 107480963
N,N-bis(2-ethoxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 82951040
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714
N',N'-dibutyl-N-propan-2-ylpropane-1,3-diamine
CID 60854537
butyl(2-hydroxyethyl)sulfamic acid
CID 134897144
N-[3-(dimethylamino)propyl]-N-ethyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 102994809
N-methyl-N-[2-(propan-2-ylamino)ethyl]propane-1-sulfonamide
CID 165444690
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
N-butyl-N-cyclopropyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972501
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59747346

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide (CID 54972654) is N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide is CCCCN(CCO)S(=O)(=O)CCNC(C)C.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
The InChIKey is KQFWAMPYJGMMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O3S/c1-4-5-7-13(8-9-14)17(15,16)10-6-12-11(2)3/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide?
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide has a molecular weight of 266.41 g/mol, XLogP of 0.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide is sourced from PubChem (CID 54972654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).