1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

C16H28N4O2S — CID 136513684

IUPAC1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCn1nc(C)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1C
InChIInChI=1S/C16H28N4O2S/c1-4-20-13(3)16(12(2)18-20)11-17-14-7-9-19(10-8-14)23(21,22)15-5-6-15/h14-15,17H,4-11H2,1-3H3
InChIKeyFVBJWCPEKPUGSH-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.57
Rot. Bonds6

About 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine

1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (PubChem CID 136513684) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
PubChem CID136513684
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine
SMILESCCn1nc(C)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1C
InChIInChI=1S/C16H28N4O2S/c1-4-20-13(3)16(12(2)18-20)11-17-14-7-9-19(10-8-14)23(21,22)15-5-6-15/h14-15,17H,4-11H2,1-3H3
InChIKeyFVBJWCPEKPUGSH-UHFFFAOYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]thiolan-3-amine
CID 115674407
N-[[3,5-dimethyl-1-(3-methylsulfonylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 55162738
N-[(1-heptyl-3,5-dimethylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648067
N-[(3,5-dimethyl-1-nonylpyrazol-4-yl)methyl]cyclopropanamine
CID 43648066
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 43648085
ethyl 2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]acetate
CID 43648049
N-[4-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]-4-methoxybenzamide
CID 42473094
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
2-[4-[(cyclopropylamino)methyl]-3,5-dimethylpyrazol-1-yl]-N-ethyl-N-methylacetamide
CID 43648061
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
1-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 7022224
N-[3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-methylpropyl]cyclopropanamine
CID 79224989

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine (CID 136513684) is 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is CCn1nc(C)c(CNC2CCN(S(=O)(=O)C3CC3)CC2)c1C.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
The InChIKey is FVBJWCPEKPUGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-4-20-13(3)16(12(2)18-20)11-17-14-7-9-19(10-8-14)23(21,22)15-5-6-15/h14-15,17H,4-11H2,1-3H3.
What are the key properties of 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine?
1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine has a molecular weight of 340.49 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 136513684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).