N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide

C11H22N4O2S — CID 95279961

IUPACN,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
SMILESC[C@@H](Cn1cccn1)NCCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O2S/c1-11(10-15-8-4-7-13-15)12-6-5-9-18(16,17)14(2)3/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyFYKLAAICBBUPAO-NSHDSACASA-N
MW274.39 g/mol
LogP0.14
Rot. Bonds8

About N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide

N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide (PubChem CID 95279961) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
PubChem CID95279961
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC NameN,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide
SMILESC[C@@H](Cn1cccn1)NCCCS(=O)(=O)N(C)C
InChIInChI=1S/C11H22N4O2S/c1-11(10-15-8-4-7-13-15)12-6-5-9-18(16,17)14(2)3/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t11-/m0/s1
InChIKeyFYKLAAICBBUPAO-NSHDSACASA-N
XLogP0.14
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3-methylsulfonylpropyl)-1-pyrazol-1-ylpropan-2-amine
CID 95027950
(2R)-N-[3-(benzenesulfonyl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 95279364
N-(2-fluoroethyl)-1-pyrazol-1-ylpropan-2-amine
CID 80601447
N',N'-diethyl-N-(1-pyrazol-1-ylpropan-2-yl)ethane-1,2-diamine
CID 61462605
N-ethyl-1-pyrazol-1-ylpropan-2-amine
CID 43435880
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-(3-phenoxypropyl)-1-pyrazol-1-ylpropan-2-amine
CID 60765949
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574
4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
CID 116815471
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
N-(2-methylsulfonylethyl)-4-pyrazol-1-ylbutan-2-amine
CID 115977569
N',N'-dimethyl-N-(3-methyl-1-pyrazol-1-ylbutan-2-yl)butane-1,4-diamine
CID 114270847

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide (CID 95279961) is N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide is C[C@@H](Cn1cccn1)NCCCS(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide?
The InChIKey is FYKLAAICBBUPAO-NSHDSACASA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-11(10-15-8-4-7-13-15)12-6-5-9-18(16,17)14(2)3/h4,7-8,11-12H,5-6,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide?
N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propane-1-sulfonamide is sourced from PubChem (CID 95279961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).