N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide

C13H23N5O3S — CID 119616424

IUPACN-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NC(CN)C2CC2)cn1C
InChIInChI=1S/C13H23N5O3S/c1-9-16-13(8-18(9)2)22(20,21)15-6-5-12(19)17-11(7-14)10-3-4-10/h8,10-11,15H,3-7,14H2,1-2H3,(H,17,19)
InChIKeyNBMANMGHGKOPTF-UHFFFAOYSA-N
MW329.43 g/mol
LogP-0.75
Rot. Bonds8

About N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide

N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide (PubChem CID 119616424) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
PubChem CID119616424
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide
SMILESCc1nc(S(=O)(=O)NCCC(=O)NC(CN)C2CC2)cn1C
InChIInChI=1S/C13H23N5O3S/c1-9-16-13(8-18(9)2)22(20,21)15-6-5-12(19)17-11(7-14)10-3-4-10/h8,10-11,15H,3-7,14H2,1-2H3,(H,17,19)
InChIKeyNBMANMGHGKOPTF-UHFFFAOYSA-N
XLogP-0.75
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide (CID 119616424) is N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide is Cc1nc(S(=O)(=O)NCCC(=O)NC(CN)C2CC2)cn1C.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide?
The InChIKey is NBMANMGHGKOPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-9-16-13(8-18(9)2)22(20,21)15-6-5-12(19)17-11(7-14)10-3-4-10/h8,10-11,15H,3-7,14H2,1-2H3,(H,17,19).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide?
N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide has a molecular weight of 329.43 g/mol, XLogP of -0.75, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-[(1,2-dimethylimidazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119616424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).