N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine

C13H24N4O2S — CID 63852610

IUPACN-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C13H24N4O2S/c1-3-6-14-11(2)12-5-4-7-17(10-12)20(18,19)13-8-15-16-9-13/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyCIPAJYJJDQYKFY-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.20
Rot. Bonds6

About N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63852610) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
PubChem CID63852610
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1
InChIInChI=1S/C13H24N4O2S/c1-3-6-14-11(2)12-5-4-7-17(10-12)20(18,19)13-8-15-16-9-13/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyCIPAJYJJDQYKFY-UHFFFAOYSA-N
XLogP1.20
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63853142
N-[1-[1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidin-3-yl]ethyl]propan-1-amine
CID 103413649
N-[1-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63855058
N-[1-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
CID 63854706
N-tert-butyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803113
N-cyclopropyl-3-[1-(propylamino)ethyl]piperidine-1-sulfonamide
CID 114803111
N-methyl-1-(1H-pyrazol-4-ylsulfonyl)pyrrolidin-3-amine
CID 115300228
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 64597039
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
CID 167911154
3-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidin-4-ol
CID 114510125

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine (CID 63852610) is N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(S(=O)(=O)c2cn[nH]c2)C1.
What is the InChIKey of N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is CIPAJYJJDQYKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-6-14-11(2)12-5-4-7-17(10-12)20(18,19)13-8-15-16-9-13/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,15,16).
What are the key properties of N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 300.43 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63852610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).