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

C12H25N3O2S — CID 138646072

IUPAC(3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
SMILESCS(=O)(=O)CC1CCN(C2CCNC[C@@H]2N)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/t11-,12?/m0/s1
InChIKeySVFCDVVSHYKCAP-PXYINDEMSA-N
MW275.42 g/mol
LogP-0.57
Rot. Bonds3

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

(3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine (PubChem CID 138646072) has the molecular formula C12H25N3O2S and a molecular weight of 275.42 g/mol. Its IUPAC name is (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
PubChem CID138646072
Molecular FormulaC12H25N3O2S
Molecular Weight275.42 g/mol
Exact Mass275.17
IUPAC Name(3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine
SMILESCS(=O)(=O)CC1CCN(C2CCNC[C@@H]2N)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/t11-,12?/m0/s1
InChIKeySVFCDVVSHYKCAP-PXYINDEMSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
The IUPAC name of (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine (CID 138646072) is (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine.
What is the SMILES notation for (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
The canonical SMILES for (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine is CS(=O)(=O)CC1CCN(C2CCNC[C@@H]2N)CC1.
What is the InChIKey of (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
The InChIKey is SVFCDVVSHYKCAP-PXYINDEMSA-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/t11-,12?/m0/s1.
What are the key properties of (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine?
(3S)-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 (3S)-4-[4-(methylsulfonylmethyl)piperidin-1-yl]piperidin-3-amine is sourced from PubChem (CID 138646072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).