N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline

C13H23NS — CID 123354097

IUPACN-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline
SMILESCC(C)(C)N(c1ccccc1)S(C)(C)C
InChIInChI=1S/C13H23NS/c1-13(2,3)14(15(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyBHHSDUKVZFYAGD-UHFFFAOYSA-N
MW225.40 g/mol
LogP3.90
Rot. Bonds2

About N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline

N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline (PubChem CID 123354097) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline.

Molecular Properties

Compound NameN-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline
PubChem CID123354097
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC NameN-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline
SMILESCC(C)(C)N(c1ccccc1)S(C)(C)C
InChIInChI=1S/C13H23NS/c1-13(2,3)14(15(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3
InChIKeyBHHSDUKVZFYAGD-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Dimethylaniline
CID 949
N,N-Diethylaniline
CID 7061
N,N-Dibutylaniline
CID 61154
N-Ethyl-N-methylaniline
CID 11956
Benzenaminium, N,N,N-triethyl-, iodide (1:1)
CID 70524
N,N-Diisopropylaniline
CID 61329
N-methyl-N-phenylmethanesulfonamide
CID 733944
N-Phenyldipropylamine
CID 75191
N-Allyl-N-methylaniline
CID 246778
N,N-bis(2-methylpropyl)aniline
CID 5169898
Phenyltrimethylammonium
CID 15914
N-(1,1-Dimethylethyl)benzenamine
CID 254260

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline?
The IUPAC name of N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline (CID 123354097) is N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline.
What is the SMILES notation for N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline?
The canonical SMILES for N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline is CC(C)(C)N(c1ccccc1)S(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline?
The InChIKey is BHHSDUKVZFYAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-13(2,3)14(15(4,5)6)12-10-8-7-9-11-12/h7-11H,1-6H3.
What are the key properties of N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline?
N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline has a molecular weight of 225.40 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(trimethyl-λ4-sulfanyl)aniline is sourced from PubChem (CID 123354097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).