2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine

C14H29NO3S — CID 64676253

IUPAC2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1S(=O)(=O)CCCOC
InChIInChI=1S/C14H29NO3S/c1-3-10-15-13-8-5-4-6-9-14(13)19(16,17)12-7-11-18-2/h13-15H,3-12H2,1-2H3
InChIKeyKIPAJAUTIZMEFA-UHFFFAOYSA-N
MW291.46 g/mol
LogP2.14
Rot. Bonds8

About 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine

2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine (PubChem CID 64676253) has the molecular formula C14H29NO3S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine
PubChem CID64676253
Molecular FormulaC14H29NO3S
Molecular Weight291.46 g/mol
Exact Mass291.19
IUPAC Name2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1S(=O)(=O)CCCOC
InChIInChI=1S/C14H29NO3S/c1-3-10-15-13-8-5-4-6-9-14(13)19(16,17)12-7-11-18-2/h13-15H,3-12H2,1-2H3
InChIKeyKIPAJAUTIZMEFA-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 52.14
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

N-propyl-2-propylsulfonylcyclooctan-1-amine
CID 64644715
methyl 3-[2-(propylamino)cycloheptyl]sulfonylpropanoate
CID 64675556
2-(2-methoxyethylsulfonyl)-N-methylcyclododecan-1-amine
CID 64644745
2-(3-methoxypropylsulfonyl)cyclooctan-1-amine
CID 64673487
1-N-(3-methoxypropyl)-1-N-methyl-2-N-propylcycloheptane-1,2-diamine
CID 62985177
N-methyl-2-propylsulfonylcyclooctan-1-amine
CID 64644517
N-[3-(2-methoxyethoxy)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046821
2-(3-methoxypropylsulfinyl)-N-propylcyclopentan-1-amine
CID 64659982
N-[4-(2-methoxyethoxy)butyl]-2-methylsulfonylcyclopentan-1-amine
CID 115900911
2-[[3-methoxypropyl(methyl)amino]methyl]-N-propylcyclohexan-1-amine
CID 63009366
2-(3-methylbutan-2-ylsulfonyl)-N-propylcyclopentan-1-amine
CID 107759062
cis-(1R,2R)-2-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 28673271

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine (CID 64676253) is 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1S(=O)(=O)CCCOC.
What is the InChIKey of 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine?
The InChIKey is KIPAJAUTIZMEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3S/c1-3-10-15-13-8-5-4-6-9-14(13)19(16,17)12-7-11-18-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine?
2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine has a molecular weight of 291.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropylsulfonyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 64676253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).