N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

C12H18ClNS — CID 79426608

IUPACN-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cc(Cl)cs2)C1(C)C
InChIInChI=1S/C12H18ClNS/c1-11(2)10(12(11,3)4)14-6-9-5-8(13)7-15-9/h5,7,10,14H,6H2,1-4H3
InChIKeyCDWQORPFSDKDCD-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.93
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine

N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (PubChem CID 79426608) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
PubChem CID79426608
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
SMILESCC1(C)C(NCc2cc(Cl)cs2)C1(C)C
InChIInChI=1S/C12H18ClNS/c1-11(2)10(12(11,3)4)14-6-9-5-8(13)7-15-9/h5,7,10,14H,6H2,1-4H3
InChIKeyCDWQORPFSDKDCD-UHFFFAOYSA-N
XLogP3.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorothiophen-2-yl)methyl]-1-methylpiperidin-4-amine
CID 79420660
2-[(4-chlorothiophen-2-yl)methyl]-1,1-dimethylhydrazine
CID 83006847
4-N-[(4-chlorothiophen-2-yl)methyl]cyclohexane-1,4-diamine
CID 79420437
N-[(4-chlorothiophen-2-yl)methyl]-2-ethylcyclohexan-1-amine
CID 79419374
N-[(4-chlorothiophen-2-yl)methyl]-1-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
CID 107386647
cis-(1R,2S)-N-[(4-chlorothiophen-2-yl)methyl]-2-fluorocyclopentan-1-amine
CID 130831511
N-[(4-chlorothiophen-2-yl)methyl]-2,2-dimethoxyethanamine
CID 79419390
N-[(4-chlorothiophen-2-yl)methyl]prop-2-yn-1-amine
CID 79420548
N-[(4,5-dibromothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 102836416
N-[(4-chlorothiophen-2-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 107166367
[2-[(4-chlorothiophen-2-yl)methylamino]cyclohexyl]methanol
CID 107166401
[2-[(4-chlorothiophen-2-yl)methylamino]cyclopentyl]methanol
CID 107166449

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine (CID 79426608) is N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is CC1(C)C(NCc2cc(Cl)cs2)C1(C)C.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
The InChIKey is CDWQORPFSDKDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-11(2)10(12(11,3)4)14-6-9-5-8(13)7-15-9/h5,7,10,14H,6H2,1-4H3.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine?
N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine has a molecular weight of 243.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine is sourced from PubChem (CID 79426608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).