4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine

C12H25N3O2S — CID 123382405

IUPAC4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
SMILESCS(=O)(=O)CC1CCN(C2CCNCC2N)CC1
InChIInChI=1S/C12H25N3O2S/c1-18(16,17)9-10-3-6-15(7-4-10)12-2-5-14-8-11(12)13/h10-12,14H,2-9,13H2,1H3
InChIKeySVFCDVVSHYKCAP-UHFFFAOYSA-N
MW275.42 g/mol
LogP-0.57
Rot. Bonds3

About 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine

4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine (PubChem CID 123382405) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
PubChem CID123382405
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
SMILESCS(=O)(=O)CC1CCN(C2CCNCC2N)CC1
InChIInChI=1S/C12H25N3O2S/c1-18(16,17)9-10-3-6-15(7-4-10)12-2-5-14-8-11(12)13/h10-12,14H,2-9,13H2,1H3
InChIKeySVFCDVVSHYKCAP-UHFFFAOYSA-N
XLogP-0.57
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoropiperidin-3-amine
CID 123302264
4-(1,1-Dioxo-1,4-thiazinan-4-yl)-5-fluoro-1-pentylpiperidin-3-amine
CID 156092361
3-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]-1,4-thiazinane 1,1-dioxide
CID 80521193
4-[[2-(Trifluoromethyl)piperazin-1-yl]methyl]thiane 1,1-dioxide
CID 115101264
1-[(4-Fluoro-1,1-dioxothian-4-yl)methyl]piperidin-4-amine
CID 126845808
1-(4-aminopiperidin-1-yl)-N,N-dimethyl-1-piperidin-4-ylmethanesulfonamide
CID 21699875
1-(2-aminoethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983828
N,4-dimethyl-1-propylsulfonylpiperidin-3-amine
CID 21983832
1-(Ethylsulfonyl)-N,4-dimethylpiperidin-3-amine
CID 21983834
1-butylsulfonyl-N,4-dimethylpiperidin-3-amine
CID 21983835
N,4-dimethyl-1-[2-(methylamino)ethylsulfonyl]piperidin-3-amine
CID 21983847
Thiomorpholine, 4-(4-piperidinyl)-, 1,1-dioxide
CID 43532698

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
The IUPAC name of 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine (CID 123382405) is 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
The canonical SMILES for 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine is CS(=O)(=O)CC1CCN(C2CCNCC2N)CC1.
What is the InChIKey of 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
The InChIKey is SVFCDVVSHYKCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2S/c1-18(16,17)9-10-3-6-15(7-4-10)12-2-5-14-8-11(12)13/h10-12,14H,2-9,13H2,1H3.
What are the key properties of 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine has a molecular weight of 275.42 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 123382405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).