N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine

C14H29NO3S — CID 106513528

IUPACN-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C14H29NO3S/c1-2-18-11-6-5-9-15-10-12-19(16,17)13-14-7-3-4-8-14/h14-15H,2-13H2,1H3
InChIKeyFTHHWJMZGRLVGL-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.00
Rot. Bonds11

About N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine

N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine (PubChem CID 106513528) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine
PubChem CID106513528
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC NameN-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine
SMILESCCOCCCCNCCS(=O)(=O)CC1CCCC1
InChIInChI=1S/C14H29NO3S/c1-2-18-11-6-5-9-15-10-12-19(16,17)13-14-7-3-4-8-14/h14-15H,2-13H2,1H3
InChIKeyFTHHWJMZGRLVGL-UHFFFAOYSA-N
XLogP2.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-[2-(oxolan-2-ylmethylsulfonyl)ethyl]propan-1-amine
CID 106513636
4-ethoxy-N-[2-(2-methylpropylsulfonyl)ethyl]butan-1-amine
CID 106512953
3-ethoxy-N-[2-(2-methoxyethylsulfonyl)ethyl]propan-1-amine
CID 106513266
N-[2-(cyclopentylmethylsulfonyl)ethyl]propan-2-amine
CID 64676476
4-ethoxy-N-(2-ethoxyethyl)butan-1-amine
CID 62565193
4-(3-ethoxypropylamino)butyl hydrogen sulfate
CID 153323851
6-(3-ethoxypropylamino)hexane-1-sulfonic acid
CID 151406312
N-[2-(cyclopentylmethylsulfonyl)ethyl]-1-methoxypropan-2-amine
CID 106513471
7-ethoxy-N-propylheptan-1-amine
CID 163393813
4-ethoxy-N-[2-(2-ethoxyethoxy)ethyl]butan-1-amine
CID 62565012
5-(cyclohexylmethoxy)-N-propylpentan-1-amine
CID 62485454
bis[3-(3-ethoxypropylamino)propyl] sulfate
CID 155409951

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine?
The IUPAC name of N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine (CID 106513528) is N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine.
What is the SMILES notation for N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine?
The canonical SMILES for N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine is CCOCCCCNCCS(=O)(=O)CC1CCCC1.
What is the InChIKey of N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine?
The InChIKey is FTHHWJMZGRLVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-2-18-11-6-5-9-15-10-12-19(16,17)13-14-7-3-4-8-14/h14-15H,2-13H2,1H3.
What are the key properties of N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine?
N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.00, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethylsulfonyl)ethyl]-4-ethoxybutan-1-amine is sourced from PubChem (CID 106513528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).