N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide

C14H27N5O3S — CID 119660888

IUPACN-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H27N5O3S/c1-10(2)13(15)6-7-18(4)14(20)11(3)17-23(21,22)12-8-16-19(5)9-12/h8-11,13,17H,6-7,15H2,1-5H3
InChIKeyJZIOIGHEHWBWNV-UHFFFAOYSA-N
MW345.47 g/mol
LogP-0.08
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide

N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide (PubChem CID 119660888) has the molecular formula C14H27N5O3S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
PubChem CID119660888
Molecular FormulaC14H27N5O3S
Molecular Weight345.47 g/mol
Exact Mass345.18
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C14H27N5O3S/c1-10(2)13(15)6-7-18(4)14(20)11(3)17-23(21,22)12-8-16-19(5)9-12/h8-11,13,17H,6-7,15H2,1-5H3
InChIKeyJZIOIGHEHWBWNV-UHFFFAOYSA-N
XLogP-0.08
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide (CID 119660888) is N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1cnn(C)c1)C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
The InChIKey is JZIOIGHEHWBWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O3S/c1-10(2)13(15)6-7-18(4)14(20)11(3)17-23(21,22)12-8-16-19(5)9-12/h8-11,13,17H,6-7,15H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide?
N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide has a molecular weight of 345.47 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-2-[(1-methylpyrazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119660888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).