4-tert-butylsulfinyl-N-propylbutan-2-amine

C11H25NOS — CID 64652778

IUPAC4-tert-butylsulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(=O)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-6-8-12-10(2)7-9-14(13)11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyULBVOBCSEQVLCK-UHFFFAOYSA-N
MW219.39 g/mol
LogP2.31
Rot. Bonds6

About 4-tert-butylsulfinyl-N-propylbutan-2-amine

4-tert-butylsulfinyl-N-propylbutan-2-amine (PubChem CID 64652778) has the molecular formula C11H25NOS and a molecular weight of 219.39 g/mol. Its IUPAC name is 4-tert-butylsulfinyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name4-tert-butylsulfinyl-N-propylbutan-2-amine
PubChem CID64652778
Molecular FormulaC11H25NOS
Molecular Weight219.39 g/mol
Exact Mass219.17
IUPAC Name4-tert-butylsulfinyl-N-propylbutan-2-amine
SMILESCCCNC(C)CCS(=O)C(C)(C)C
InChIInChI=1S/C11H25NOS/c1-6-8-12-10(2)7-9-14(13)11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyULBVOBCSEQVLCK-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652980
4-methylsulfinyl-N-propylbutan-2-amine
CID 64657042
1-tert-butylsulfinyl-N-propylpentan-2-amine
CID 64652349
4-(4-tert-butylphenyl)sulfinyl-N-propylbutan-2-amine
CID 64651165
N-propyl-4-propylsulfinylpentan-2-amine
CID 64705214
4-(3-methylcyclohexyl)sulfinyl-N-propylbutan-2-amine
CID 64657617
N-propylnonan-2-amine
CID 43129664
(2S)-5-N,5-dimethyl-2-N-propylheptane-2,5-diamine
CID 163550671
4-cyclopropyl-N-propylbutan-2-amine
CID 64504498
2-methyl-4-(pentan-2-ylamino)butan-2-ol
CID 79361894
6-tert-butylsulfinyl-N-ethylhexan-3-amine
CID 106807949
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylsulfinyl-N-propylbutan-2-amine?
The IUPAC name of 4-tert-butylsulfinyl-N-propylbutan-2-amine (CID 64652778) is 4-tert-butylsulfinyl-N-propylbutan-2-amine.
What is the SMILES notation for 4-tert-butylsulfinyl-N-propylbutan-2-amine?
The canonical SMILES for 4-tert-butylsulfinyl-N-propylbutan-2-amine is CCCNC(C)CCS(=O)C(C)(C)C.
What is the InChIKey of 4-tert-butylsulfinyl-N-propylbutan-2-amine?
The InChIKey is ULBVOBCSEQVLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NOS/c1-6-8-12-10(2)7-9-14(13)11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of 4-tert-butylsulfinyl-N-propylbutan-2-amine?
4-tert-butylsulfinyl-N-propylbutan-2-amine has a molecular weight of 219.39 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylsulfinyl-N-propylbutan-2-amine is sourced from PubChem (CID 64652778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).