N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine

C14H26N4O2S — CID 63853142

IUPACN-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C14H26N4O2S/c1-4-7-15-12(2)13-6-5-8-18(10-13)21(19,20)14-9-16-17(3)11-14/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyFWTJYWJIVYLAMI-UHFFFAOYSA-N
MW314.46 g/mol
LogP1.21
Rot. Bonds6

About N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine

N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine (PubChem CID 63853142) has the molecular formula C14H26N4O2S and a molecular weight of 314.46 g/mol. Its IUPAC name is N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
PubChem CID63853142
Molecular FormulaC14H26N4O2S
Molecular Weight314.46 g/mol
Exact Mass314.18
IUPAC NameN-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine
SMILESCCCNC(C)C1CCCN(S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C14H26N4O2S/c1-4-7-15-12(2)13-6-5-8-18(10-13)21(19,20)14-9-16-17(3)11-14/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyFWTJYWJIVYLAMI-UHFFFAOYSA-N
XLogP1.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.46
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethyl]propan-1-amine
CID 63852610
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 63853842
(1S)-1-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethanamine
CID 124553890
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-ethyl-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]ethanamine
CID 63854886
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 55105621

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine (CID 63853142) is N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine is CCCNC(C)C1CCCN(S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
The InChIKey is FWTJYWJIVYLAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2S/c1-4-7-15-12(2)13-6-5-8-18(10-13)21(19,20)14-9-16-17(3)11-14/h9,11-13,15H,4-8,10H2,1-3H3.
What are the key properties of N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine?
N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine has a molecular weight of 314.46 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]ethyl]propan-1-amine is sourced from PubChem (CID 63853142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).