N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide

C13H23N5O3S — CID 119575571

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H23N5O3S/c1-9(12(19)16-13(2,8-14)10-4-5-10)17-22(20,21)11-6-15-18(3)7-11/h6-7,9-10,17H,4-5,8,14H2,1-3H3,(H,16,19)
InChIKeyVHPQCPUFZDGSLB-UHFFFAOYSA-N
MW329.43 g/mol
LogP-0.67
Rot. Bonds7

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide (PubChem CID 119575571) has the molecular formula C13H23N5O3S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
PubChem CID119575571
Molecular FormulaC13H23N5O3S
Molecular Weight329.43 g/mol
Exact Mass329.15
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C13H23N5O3S/c1-9(12(19)16-13(2,8-14)10-4-5-10)17-22(20,21)11-6-15-18(3)7-11/h6-7,9-10,17H,4-5,8,14H2,1-3H3,(H,16,19)
InChIKeyVHPQCPUFZDGSLB-UHFFFAOYSA-N
XLogP-0.67
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide (CID 119575571) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The InChIKey is VHPQCPUFZDGSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O3S/c1-9(12(19)16-13(2,8-14)10-4-5-10)17-22(20,21)11-6-15-18(3)7-11/h6-7,9-10,17H,4-5,8,14H2,1-3H3,(H,16,19).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide has a molecular weight of 329.43 g/mol, XLogP of -0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119575571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).