N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine

C10H19ClN2O2S — CID 106437494

IUPACN-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC(=CCl)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19ClN2O2S/c1-9(7-11)8-12-10-3-5-13(6-4-10)16(2,14)15/h7,10,12H,3-6,8H2,1-2H3
InChIKeyYKIWYAYZOIFYCJ-UHFFFAOYSA-N
MW266.79 g/mol
LogP1.14
Rot. Bonds4

About N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine

N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 106437494) has the molecular formula C10H19ClN2O2S and a molecular weight of 266.79 g/mol. Its IUPAC name is N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID106437494
Molecular FormulaC10H19ClN2O2S
Molecular Weight266.79 g/mol
Exact Mass266.09
IUPAC NameN-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
SMILESCC(=CCl)CNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C10H19ClN2O2S/c1-9(7-11)8-12-10-3-5-13(6-4-10)16(2,14)15/h7,10,12H,3-6,8H2,1-2H3
InChIKeyYKIWYAYZOIFYCJ-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.79
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylprop-2-enyl)cyclopentanamine
CID 106437272
N-(3-chloro-2-methylprop-2-enyl)-1-cyclopropylpyrrolidin-3-amine
CID 106437648
N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
CID 114472064
2-[(1-methylsulfonylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60976887
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-(1-methoxypropan-2-yl)-2-[(1-methylsulfonylpiperidin-4-yl)amino]acetamide
CID 60976886
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine (CID 106437494) is N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine is CC(=CCl)CNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is YKIWYAYZOIFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2S/c1-9(7-11)8-12-10-3-5-13(6-4-10)16(2,14)15/h7,10,12H,3-6,8H2,1-2H3.
What are the key properties of N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 266.79 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 106437494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).