N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine

C14H30N2O2S — CID 71244482

IUPACN,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine
SMILESCC(C)C(C)(C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H30N2O2S/c1-12(2)14(3,4)15(5)10-13-8-7-9-16(11-13)19(6,17)18/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyNSFFDTAYFDQBLQ-ZDUSSCGKSA-N
MW290.47 g/mol
LogP2.02
Rot. Bonds5

About N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine

N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine (PubChem CID 71244482) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine
PubChem CID71244482
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine
SMILESCC(C)C(C)(C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H30N2O2S/c1-12(2)14(3,4)15(5)10-13-8-7-9-16(11-13)19(6,17)18/h12-13H,7-11H2,1-6H3/t13-/m0/s1
InChIKeyNSFFDTAYFDQBLQ-ZDUSSCGKSA-N
XLogP2.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine?
The IUPAC name of N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine (CID 71244482) is N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine.
What is the SMILES notation for N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine?
The canonical SMILES for N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine is CC(C)C(C)(C)N(C)C[C@@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine?
The InChIKey is NSFFDTAYFDQBLQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2O2S/c1-12(2)14(3,4)15(5)10-13-8-7-9-16(11-13)19(6,17)18/h12-13H,7-11H2,1-6H3/t13-/m0/s1.
What are the key properties of N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine?
N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine has a molecular weight of 290.47 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]butan-2-amine is sourced from PubChem (CID 71244482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).