N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine

C9H21NO2S — CID 64645030

IUPACN-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
SMILESCC(C)CS(=O)(=O)CCNC(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)7-13(11,12)6-5-10-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyAJJDPZUGABJYGH-UHFFFAOYSA-N
MW207.34 g/mol
LogP1.06
Rot. Bonds6

About N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine

N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine (PubChem CID 64645030) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
PubChem CID64645030
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC NameN-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine
SMILESCC(C)CS(=O)(=O)CCNC(C)C
InChIInChI=1S/C9H21NO2S/c1-8(2)7-13(11,12)6-5-10-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyAJJDPZUGABJYGH-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-methylpropylsulfonyl)ethyl]-2-methylsulfonylethanamine
CID 106512902
N-(2-methylsulfonylethyl)propan-2-amine
CID 60708370
ethane;N-(2-methylsulfonylethyl)propan-2-amine
CID 142531419
N-[2-(2-methylpropylsulfonyl)ethyl]cyclohexanamine
CID 106512958
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
N-[2-(2-methylpropylsulfonyl)ethyl]hexan-1-amine
CID 106512908
2-(2-methylpropylsulfonyl)ethanol
CID 22979545
3-(3-methylbutylsulfonyl)-N-propan-2-ylpropan-1-amine
CID 107757850
N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)ethanesulfonamide
CID 63926727
N-(2-ethylsulfonylethyl)-5-methylhexan-2-amine
CID 63926903
3-(2-methylpropylsulfonyl)propan-1-amine
CID 43444510
N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 106512891

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine (CID 64645030) is N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine is CC(C)CS(=O)(=O)CCNC(C)C.
What is the InChIKey of N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine?
The InChIKey is AJJDPZUGABJYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-8(2)7-13(11,12)6-5-10-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine?
N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylsulfonyl)ethyl]propan-2-amine is sourced from PubChem (CID 64645030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).