N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine

C15H28N4O2S — CID 97045093

IUPACN-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cnn(C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H28N4O2S/c1-4-7-18(12-15-9-16-17(2)10-15)11-14-6-5-8-19(13-14)22(3,20)21/h9-10,14H,4-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyFWDZDGSJCBQWTC-CQSZACIVSA-N
MW328.48 g/mol
LogP1.30
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine

N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine (PubChem CID 97045093) has the molecular formula C15H28N4O2S and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine
PubChem CID97045093
Molecular FormulaC15H28N4O2S
Molecular Weight328.48 g/mol
Exact Mass328.19
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine
SMILESCCCN(Cc1cnn(C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H28N4O2S/c1-4-7-18(12-15-9-16-17(2)10-15)11-14-6-5-8-19(13-14)22(3,20)21/h9-10,14H,4-8,11-13H2,1-3H3/t14-/m1/s1
InChIKeyFWDZDGSJCBQWTC-CQSZACIVSA-N
XLogP1.30
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine with MolForge

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Related Compounds

N-(2-chloroethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 79622478
N-methyl-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]-N'-propylethane-1,2-diamine
CID 79612634
3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
N-methyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-2-pyrazol-1-ylethanamine
CID 97045100
N'-[(1-methylpyrazol-4-yl)methyl]-N'-propylethane-1,2-diamine
CID 62127234
1-[ethyl-[(1-methylsulfonylpiperidin-3-yl)methyl]amino]-2-methylpropan-2-ol
CID 115278735
N-(2-bromoethyl)-N-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclobutanamine
CID 102861031
1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-ol
CID 116799380
N'-(2-methylpropyl)-N'-[(1-methylsulfonylpiperidin-3-yl)methyl]ethane-1,2-diamine
CID 79609989
N-[[1-[(1-methylsulfonylpiperidin-3-yl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 79619913
N-[(1-methylsulfonylpiperidin-3-yl)methyl]-N-propylpyrrolidin-3-amine
CID 79610967
2-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(1-propylpyrazol-4-yl)pyrazine
CID 124998163

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine (CID 97045093) is N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine is CCCN(Cc1cnn(C)c1)C[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine?
The InChIKey is FWDZDGSJCBQWTC-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N4O2S/c1-4-7-18(12-15-9-16-17(2)10-15)11-14-6-5-8-19(13-14)22(3,20)21/h9-10,14H,4-8,11-13H2,1-3H3/t14-/m1/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine has a molecular weight of 328.48 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 97045093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).