N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine

C12H25NO3S — CID 106513471

IUPACN-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H25NO3S/c1-11(9-16-2)13-7-8-17(14,15)10-12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyDLWCWCCHQDBZAN-UHFFFAOYSA-N
MW263.40 g/mol
LogP1.22
Rot. Bonds8

About N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine

N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine (PubChem CID 106513471) has the molecular formula C12H25NO3S and a molecular weight of 263.40 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine
PubChem CID106513471
Molecular FormulaC12H25NO3S
Molecular Weight263.40 g/mol
Exact Mass263.16
IUPAC NameN-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C12H25NO3S/c1-11(9-16-2)13-7-8-17(14,15)10-12-5-3-4-6-12/h11-13H,3-10H2,1-2H3
InChIKeyDLWCWCCHQDBZAN-UHFFFAOYSA-N
XLogP1.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
4-(cyclopentylmethylsulfonyl)-N-methylbutan-2-amine
CID 64674727
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-(furan-2-yl)ethanamine
CID 106513532
N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine
CID 106513528
2-propan-2-ylsulfonylethylsulfonylmethylcyclohexane
CID 71977091
N-[2-(4-ethylpiperidin-1-yl)ethyl]-1-methoxypropan-2-amine
CID 62558793
6-(cyclopentylmethylsulfonyl)-N-propylhexan-3-amine
CID 106807857
5-(cyclopentylmethylsulfonyl)pentan-2-amine
CID 64676281
1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 43199128
1-cyclohexyl-N-(1-methoxypropan-2-yl)propan-2-amine
CID 165494362
(1R)-1-cyclopentyl-N-(2-ethylsulfonylethyl)ethanamine
CID 81394699

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine (CID 106513471) is N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine is COCC(C)NCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine?
The InChIKey is DLWCWCCHQDBZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3S/c1-11(9-16-2)13-7-8-17(14,15)10-12-5-3-4-6-12/h11-13H,3-10H2,1-2H3.
What are the key properties of N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine?
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine has a molecular weight of 263.40 g/mol, XLogP of 1.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 106513471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).