N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

C13H27N5O2S — CID 106055677

IUPACN-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)NCc1cn[nH]c1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C13H27N5O2S/c1-10(2)14-8-12-9-15-17-13(12)21(19,20)16-6-7-18(5)11(3)4/h9-11,14,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyIHTLVNYTSZNOFM-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.53
Rot. Bonds9

About N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide

N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (PubChem CID 106055677) has the molecular formula C13H27N5O2S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
PubChem CID106055677
Molecular FormulaC13H27N5O2S
Molecular Weight317.46 g/mol
Exact Mass317.19
IUPAC NameN-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
SMILESCC(C)NCc1cn[nH]c1S(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C13H27N5O2S/c1-10(2)14-8-12-9-15-17-13(12)21(19,20)16-6-7-18(5)11(3)4/h9-11,14,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyIHTLVNYTSZNOFM-UHFFFAOYSA-N
XLogP0.53
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106091929
N-(cyclopentylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106027031
4-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]-1H-pyrazole-5-sulfonamide
CID 106044114
N-(2-ethoxypropyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106078834
N-(1H-imidazol-2-ylmethyl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106069346
4-[(propan-2-ylamino)methyl]-N-(thiolan-2-ylmethyl)-1H-pyrazole-5-sulfonamide
CID 106071704
4-(ethylaminomethyl)-N-(2-propan-2-yloxyethyl)-1H-pyrazole-5-sulfonamide
CID 106077632
4-(ethylaminomethyl)-N-[2-(2-methylpropoxy)ethyl]-1H-pyrazole-5-sulfonamide
CID 106085428
N-(1,3-dimethylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide
CID 106086089
4-[(cyclopropylamino)methyl]-N-(3-methylbutyl)-1H-pyrazole-5-sulfonamide
CID 106059009
N-[2-(dimethylamino)ethyl]-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106032301
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide (CID 106055677) is N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is CC(C)NCc1cn[nH]c1S(=O)(=O)NCCN(C)C(C)C.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is IHTLVNYTSZNOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2S/c1-10(2)14-8-12-9-15-17-13(12)21(19,20)16-6-7-18(5)11(3)4/h9-11,14,16H,6-8H2,1-5H3,(H,15,17).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide?
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.53, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]ethyl]-4-[(propan-2-ylamino)methyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106055677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).