N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

C16H29N5O3S — CID 119531042

IUPACN-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCCCN(C(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCNC1
InChIInChI=1S/C16H29N5O3S/c1-6-9-21(14-7-8-17-10-14)16(22)12(3)19-25(23,24)15-11(2)18-20(5)13(15)4/h12,14,17,19H,6-10H2,1-5H3
InChIKeyZSCHIQGWMMYFTI-UHFFFAOYSA-N
MW371.51 g/mol
LogP0.30
Rot. Bonds7

About N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide

N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide (PubChem CID 119531042) has the molecular formula C16H29N5O3S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
PubChem CID119531042
Molecular FormulaC16H29N5O3S
Molecular Weight371.51 g/mol
Exact Mass371.20
IUPAC NameN-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
SMILESCCCN(C(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCNC1
InChIInChI=1S/C16H29N5O3S/c1-6-9-21(14-7-8-17-10-14)16(22)12(3)19-25(23,24)15-11(2)18-20(5)13(15)4/h12,14,17,19H,6-10H2,1-5H3
InChIKeyZSCHIQGWMMYFTI-UHFFFAOYSA-N
XLogP0.30
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-piperidin-4-yl-N-propyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide;hydrochloride
CID 119824243
N-(3-methylpiperidin-4-yl)-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide
CID 120555090
2-[(2-fluorophenyl)sulfonylamino]-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530888
3-[propan-2-yl-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]amino]propanoic acid
CID 119207278
1,3,5-trimethyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-sulfonamide
CID 79684858
1,3,5-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazole-4-sulfonamide
CID 63622695
N-[1-(1,4-diazepan-1-yl)-1-oxopropan-2-yl]-1,3,5-trimethylpyrazole-4-sulfonamide;hydrochloride
CID 119415813
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoylamino]acetic acid
CID 119171432
1,3,5-trimethyl-N-[(2S)-1-[(2S)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]pyrazole-4-sulfonamide
CID 95281378
N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 95142288
(2R)-1-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119370543
N-propyl-N-pyrrolidin-3-yl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide;hydrochloride
CID 119530760

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The IUPAC name of N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide (CID 119531042) is N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The canonical SMILES for N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide is CCCN(C(=O)C(C)NS(=O)(=O)c1c(C)nn(C)c1C)C1CCNC1.
What is the InChIKey of N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
The InChIKey is ZSCHIQGWMMYFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O3S/c1-6-9-21(14-7-8-17-10-14)16(22)12(3)19-25(23,24)15-11(2)18-20(5)13(15)4/h12,14,17,19H,6-10H2,1-5H3.
What are the key properties of N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide?
N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide has a molecular weight of 371.51 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-pyrrolidin-3-yl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]propanamide is sourced from PubChem (CID 119531042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).