N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide

C11H22N2O3S — CID 147128589

IUPACN-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide
SMILESCCCCNC(=O)CCSC1CC(O)NC1O
InChIInChI=1S/C11H22N2O3S/c1-2-3-5-12-9(14)4-6-17-8-7-10(15)13-11(8)16/h8,10-11,13,15-16H,2-7H2,1H3,(H,12,14)
InChIKeyBPTNPYOUYUFZPH-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.02
Rot. Bonds7

About N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide

N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide (PubChem CID 147128589) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide
PubChem CID147128589
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide
SMILESCCCCNC(=O)CCSC1CC(O)NC1O
InChIInChI=1S/C11H22N2O3S/c1-2-3-5-12-9(14)4-6-17-8-7-10(15)13-11(8)16/h8,10-11,13,15-16H,2-7H2,1H3,(H,12,14)
InChIKeyBPTNPYOUYUFZPH-UHFFFAOYSA-N
XLogP0.02
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 3067803
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[2-(butylamino)-2-oxoethyl]butanamide
CID 112990615
N-butyl-4-chlorobutanamide
CID 4218503
6-(butylamino)-6-oxohexanoic acid
CID 43529485
N'-butylbutanediamide
CID 12550556
N-[3-(ethylamino)propyl]pentanamide;molecular hydrogen
CID 171627803
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-tetradecyloctanamide
CID 151737522

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide?
The IUPAC name of N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide (CID 147128589) is N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide.
What is the SMILES notation for N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide?
The canonical SMILES for N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide is CCCCNC(=O)CCSC1CC(O)NC1O.
What is the InChIKey of N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide?
The InChIKey is BPTNPYOUYUFZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-3-5-12-9(14)4-6-17-8-7-10(15)13-11(8)16/h8,10-11,13,15-16H,2-7H2,1H3,(H,12,14).
What are the key properties of N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide?
N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide has a molecular weight of 262.37 g/mol, XLogP of 0.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2,5-dihydroxypyrrolidin-3-yl)sulfanylpropanamide is sourced from PubChem (CID 147128589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).