2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine

C16H33NOS — CID 64652319

IUPAC2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1S(=O)C(C)CC
InChIInChI=1S/C16H33NOS/c1-6-10-17-15-9-8-14(12(3)4)11-16(15)19(18)13(5)7-2/h12-17H,6-11H2,1-5H3
InChIKeyMFFFZZJKWOPIRP-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.73
Rot. Bonds7

About 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine

2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine (PubChem CID 64652319) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
PubChem CID64652319
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C(C)C)CC1S(=O)C(C)CC
InChIInChI=1S/C16H33NOS/c1-6-10-17-15-9-8-14(12(3)4)11-16(15)19(18)13(5)7-2/h12-17H,6-11H2,1-5H3
InChIKeyMFFFZZJKWOPIRP-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 107758756
2-(2-methylbutyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63401154
4-propan-2-yl-2-propan-2-ylsulfanyl-N-propylcyclohexan-1-amine
CID 64634442
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
CID 64654374
2-N-cyclopropyl-4-propan-2-yl-1-N,2-N-dipropylcyclohexane-1,2-diamine
CID 63465920
2-(4-ethylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62702986
2-(diethylaminomethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 55197305
2-N-(1-cyclopropylethyl)-2-N-methyl-4-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 63470088
2-[(2-methylpropan-2-yl)oxy]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62708059
2-(2-methoxyethyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62740231
2-(4-methylpentyl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 83158482
2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63474366

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The IUPAC name of 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine (CID 64652319) is 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine is CCCNC1CCC(C(C)C)CC1S(=O)C(C)CC.
What is the InChIKey of 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
The InChIKey is MFFFZZJKWOPIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-6-10-17-15-9-8-14(12(3)4)11-16(15)19(18)13(5)7-2/h12-17H,6-11H2,1-5H3.
What are the key properties of 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine?
2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine has a molecular weight of 287.51 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 64652319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).